1-[4-ethyl-1-[3-(4-methylphenoxy)phenyl]cyclohexyl]-4-(4-methylphenoxy)benzene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(5-methylhexan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene;3-[hydroperoxy-(3-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(3-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-[hydroperoxy-(4-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(4-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-4,4,10,13-tetramethyl-17-(6-methylhept-5-en-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene

C329H528O21 — CID 157077606

IUPAC1-[4-ethyl-1-[3-(4-methylphenoxy)phenyl]cyclohexyl]-4-(4-methylphenoxy)benzene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(5-methylhexan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene;3-[hydroperoxy-(3-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(3-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-[hydroperoxy-(4-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(4-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-4,4,10,13-tetramethyl-17-(6-methylhept-5-en-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
SMILESCC(C)=CCCC(C)C1CCC2(C)C3CC=C4C(C)(C)C(C(C)OO)CCC4(C)C3CCC12C.CC(C)=CCCC(C)C1CCC2(C)C3CCC4C(C)(C)C(C(C)OO)CCC4(C)C3CCC12C.CC(C)CCC(C)C1CCC2C3CCC4CC(C(C)OO)CCC4(C)C3CCC12C.CC(C)CCCC(C)C1CCC2C3CC=C4C(C)(C)C(C(C)OO)CCC4(C)C3CCC12C.CCC1CCC(c2ccc(Oc3ccc(C)cc3)cc2)(c2cccc(Oc3ccc(C)cc3)c2)CC1.COC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1.COC1CCC2(C)C(CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1.COC1CCC2(C)C3CCC4(C)C(C(C)CCC=C(C)C)CCC4C3CCC2C1(C)C.Cc1ccc(COOC2CC3C4CCC(C(C)CCCC(C)C)C4(C)CCC3C3(C)CCC(C(OO)c4ccc(C)cc4)CC23)cc1.Cc1cccc(COOC2CC3C4CCC(C(C)CCCC(C)C)C4(C)CCC3C3(C)CCC(C(OO)c4cccc(C)c4)CC23)c1
InChIInChI=1S/2C43H64O4.C34H36O2.C32H56O2.C32H54O2.C31H54O2.C30H52O.C28H50O2.C28H50O.C28H48O/c1-28(2)11-8-14-31(5)36-17-18-37-35-26-40(47-45-27-32-15-9-12-29(3)23-32)39-25-34(41(46-44)33-16-10-13-30(4)24-33)19-21-43(39,7)38(35)20-22-42(36,37)6;1-28(2)9-8-10-31(5)36-19-20-37-35-26-40(47-45-27-32-15-11-29(3)12-16-32)39-25-34(41(46-44)33-17-13-30(4)14-18-33)21-23-43(39,7)38(35)22-24-42(36,37)6;1-4-27-20-22-34(23-21-27,28-12-18-32(19-13-28)35-30-14-8-25(2)9-15-30)29-6-5-7-33(24-29)36-31-16-10-26(3)11-17-31;2*1-21(2)11-10-12-22(3)24-16-19-32(9)27-13-14-28-29(5,6)25(23(4)34-33)15-18-30(28,7)26(27)17-20-31(24,32)8;1-20(2)10-9-11-21(3)24-13-14-26-23-12-15-28-29(5,6)25(22(4)33-32)16-19-31(28,8)27(23)17-18-30(24,26)7;1-20(2)10-9-11-21(3)23-13-14-24-22-12-15-26-28(4,5)27(31-8)17-19-30(26,7)25(22)16-18-29(23,24)6;1-18(2)7-8-19(3)24-11-12-25-23-10-9-22-17-21(20(4)30-29)13-15-27(22,5)26(23)14-16-28(24,25)6;2*1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(29-6)14-16-27(21,4)26(23)15-17-28(24,25)5/h9-10,12-13,15-16,23-24,28,31,34-41,44H,8,11,14,17-22,25-27H2,1-7H3;11-18,28,31,34-41,44H,8-10,19-27H2,1-7H3;5-19,24,27H,4,20-23H2,1-3H3;11,22-28,33H,10,12-20H2,1-9H3;11,14,22-27,33H,10,12-13,15-20H2,1-9H3;15,20-27,32H,9-14,16-19H2,1-8H3;10,21-27H,9,11-19H2,1-8H3;18-26,29H,7-17H2,1-6H3;19-26H,7-18H2,1-6H3;10,19-20,22-26H,7-9,11-18H2,1-6H3
InChIKeyADDRHPAKUSBZFD-UHFFFAOYSA-N
MW4819.82 g/mol
LogP94.40
Rot. Bonds73

About 1-[4-ethyl-1-[3-(4-methylphenoxy)phenyl]cyclohexyl]-4-(4-methylphenoxy)benzene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(5-methylhexan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene;3-[hydroperoxy-(3-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(3-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-[hydroperoxy-(4-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(4-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-4,4,10,13-tetramethyl-17-(6-methylhept-5-en-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene

1-[4-ethyl-1-[3-(4-methylphenoxy)phenyl]cyclohexyl]-4-(4-methylphenoxy)benzene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(5-methylhexan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene;3-[hydroperoxy-(3-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(3-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-[hydroperoxy-(4-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(4-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-4,4,10,13-tetramethyl-17-(6-methylhept-5-en-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene (PubChem CID 157077606) has the molecular formula C329H528O21 and a molecular weight of 4819.82 g/mol. Its IUPAC name is 1-[4-ethyl-1-[3-(4-methylphenoxy)phenyl]cyclohexyl]-4-(4-methylphenoxy)benzene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(5-methylhexan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene;3-[hydroperoxy-(3-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(3-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-[hydroperoxy-(4-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(4-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-4,4,10,13-tetramethyl-17-(6-methylhept-5-en-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene.

Molecular Properties

Compound Name1-[4-ethyl-1-[3-(4-methylphenoxy)phenyl]cyclohexyl]-4-(4-methylphenoxy)benzene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(5-methylhexan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene;3-[hydroperoxy-(3-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(3-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-[hydroperoxy-(4-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(4-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-4,4,10,13-tetramethyl-17-(6-methylhept-5-en-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
PubChem CID157077606
Molecular FormulaC329H528O21
Molecular Weight4819.82 g/mol
Exact Mass4816.02
IUPAC Name1-[4-ethyl-1-[3-(4-methylphenoxy)phenyl]cyclohexyl]-4-(4-methylphenoxy)benzene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(5-methylhexan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene;3-[hydroperoxy-(3-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(3-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-[hydroperoxy-(4-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(4-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-4,4,10,13-tetramethyl-17-(6-methylhept-5-en-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
SMILESCC(C)=CCCC(C)C1CCC2(C)C3CC=C4C(C)(C)C(C(C)OO)CCC4(C)C3CCC12C.CC(C)=CCCC(C)C1CCC2(C)C3CCC4C(C)(C)C(C(C)OO)CCC4(C)C3CCC12C.CC(C)CCC(C)C1CCC2C3CCC4CC(C(C)OO)CCC4(C)C3CCC12C.CC(C)CCCC(C)C1CCC2C3CC=C4C(C)(C)C(C(C)OO)CCC4(C)C3CCC12C.CCC1CCC(c2ccc(Oc3ccc(C)cc3)cc2)(c2cccc(Oc3ccc(C)cc3)c2)CC1.COC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1.COC1CCC2(C)C(CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1.COC1CCC2(C)C3CCC4(C)C(C(C)CCC=C(C)C)CCC4C3CCC2C1(C)C.Cc1ccc(COOC2CC3C4CCC(C(C)CCCC(C)C)C4(C)CCC3C3(C)CCC(C(OO)c4ccc(C)cc4)CC23)cc1.Cc1cccc(COOC2CC3C4CCC(C(C)CCCC(C)C)C4(C)CCC3C3(C)CCC(C(OO)c4cccc(C)c4)CC23)c1
InChIInChI=1S/2C43H64O4.C34H36O2.C32H56O2.C32H54O2.C31H54O2.C30H52O.C28H50O2.C28H50O.C28H48O/c1-28(2)11-8-14-31(5)36-17-18-37-35-26-40(47-45-27-32-15-9-12-29(3)23-32)39-25-34(41(46-44)33-16-10-13-30(4)24-33)19-21-43(39,7)38(35)20-22-42(36,37)6;1-28(2)9-8-10-31(5)36-19-20-37-35-26-40(47-45-27-32-15-11-29(3)12-16-32)39-25-34(41(46-44)33-17-13-30(4)14-18-33)21-23-43(39,7)38(35)22-24-42(36,37)6;1-4-27-20-22-34(23-21-27,28-12-18-32(19-13-28)35-30-14-8-25(2)9-15-30)29-6-5-7-33(24-29)36-31-16-10-26(3)11-17-31;2*1-21(2)11-10-12-22(3)24-16-19-32(9)27-13-14-28-29(5,6)25(23(4)34-33)15-18-30(28,7)26(27)17-20-31(24,32)8;1-20(2)10-9-11-21(3)24-13-14-26-23-12-15-28-29(5,6)25(22(4)33-32)16-19-31(28,8)27(23)17-18-30(24,26)7;1-20(2)10-9-11-21(3)23-13-14-24-22-12-15-26-28(4,5)27(31-8)17-19-30(26,7)25(22)16-18-29(23,24)6;1-18(2)7-8-19(3)24-11-12-25-23-10-9-22-17-21(20(4)30-29)13-15-27(22,5)26(23)14-16-28(24,25)6;2*1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(29-6)14-16-27(21,4)26(23)15-17-28(24,25)5/h9-10,12-13,15-16,23-24,28,31,34-41,44H,8,11,14,17-22,25-27H2,1-7H3;11-18,28,31,34-41,44H,8-10,19-27H2,1-7H3;5-19,24,27H,4,20-23H2,1-3H3;11,22-28,33H,10,12-20H2,1-9H3;11,14,22-27,33H,10,12-13,15-20H2,1-9H3;15,20-27,32H,9-14,16-19H2,1-8H3;10,21-27H,9,11-19H2,1-8H3;18-26,29H,7-17H2,1-6H3;19-26H,7-18H2,1-6H3;10,19-20,22-26H,7-9,11-18H2,1-6H3
InChIKeyADDRHPAKUSBZFD-UHFFFAOYSA-N
XLogP94.40
TPSA259.83 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds73
Heavy Atoms350
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004819.82
LogP ≤ 594.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze 1-[4-ethyl-1-[3-(4-methylphenoxy)phenyl]cyclohexyl]-4-(4-methylphenoxy)benzene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(5-methylhexan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene;3-[hydroperoxy-(3-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(3-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-[hydroperoxy-(4-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(4-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-4,4,10,13-tetramethyl-17-(6-methylhept-5-en-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10,13-dimethyl-17-(6-methylheptan-2-yl)-3,3-bis[4-(4-methylphenoxy)phenyl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene;1-[4-ethyl-1-[3-(4-methylphenoxy)phenyl]cyclohexyl]-4-(4-methylphenoxy)benzene;3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;3-[hydroperoxy-(3-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(3-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-[hydroperoxy-(4-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(4-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;methane
CID 161285372
cyclobutane;1,7-dimethylanthracene;1,8-dimethylanthracene;2,6-dimethylanthracene;2,7-dimethylanthracene;1,3-dimethyl-5-[(3-methylphenyl)methyl]benzene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13-tetramethyl-17-(7-methyloct-6-en-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-3-[(3-methylphenyl)methyl]benzene);1-methyl-3-[(4-methylphenyl)methyl]benzene;1,3-xylene;1,4-xylene
CID 158195981
5-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-hydroperoxymethyl]benzene-1,3-diamine;2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]benzene-1,4-diamine;2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]benzene-1,4-diamine;2-[[4,4,10,13-tetramethyl-17-(7-methyloct-6-en-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]benzene-1,4-diamine
CID 159000101
4-[4-[3-[3-(4-aminophenoxy)phenyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]phenoxy]aniline;(3,5-diethylphenyl)methyl 3,5-diaminobenzoate;4-ethylbenzene-1,3-diamine;5-[[4-(4-ethylphenyl)cyclohexyl]oxymethyl]benzene-1,3-diamine;5-[[4-(4-ethylphenyl)phenoxy]methyl]benzene-1,3-diamine;5-[hydroperoxy-[4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]methyl]benzene-1,3-diamine;methane
CID 158951563
3-(1-hydroperoxyethyl)-4,4,10,13-tetramethyl-17-(7-methyloct-6-en-2-yl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene
CID 58444959
[4-(3,4-difluorophenyl)cyclohexyl] 3,5-diaminobenzoate;4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]benzene-1,3-diamine;[10,13-dimethyl-17-(6-methylhept-5-en-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3,5-diaminobenzoate;[10,13-dimethyl-17-(6-methylhept-5-en-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3,5-diaminobenzoate;[4-(4-fluorophenyl)cyclohexyl] 3,5-diaminobenzoate;[4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] 3,5-diaminobenzoate
CID 162205735
4-[[6-[(4-aminophenoxy)methoxy]-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-hydroperoxymethyl]aniline;3-[[6-[(3-aminophenoxy)methoxy]-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-hydroperoxymethyl]aniline;10,13-dimethyl-17-(6-methylheptan-2-yl)-3,3-diphenyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene;methanamine;methane;bis(4-methoxyaniline);2-phenoxyethoxybenzene
CID 160945296
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (3-methylphenyl) carbonate
CID 99570432
3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
CID 58289285
[4-[4-(4-ethoxycyclohexyl)cyclohexyl]phenyl] acetate;1-(4-ethoxycyclohexyl)-4-methoxybenzene;1-(4-ethoxycyclohexyl)-4-(methoxymethoxy)benzene;3-ethoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;1-ethoxy-4-(4-ethylcyclohexyl)benzene;1-ethoxy-4-[4-(4-ethylcyclohexyl)cyclohexyl]benzene;1-ethoxy-4-[4-(4-ethylcyclohexyl)phenyl]benzene;2-ethoxy-6-ethylnaphthalene;1-ethoxy-4-[4-(4-ethylphenyl)cyclohexyl]benzene;1-ethoxy-4-[4-(4-ethylphenyl)phenyl]benzene;[4-[(4-ethylphenoxy)methoxy]-3-methylphenyl] 4-ethoxycarbonyloxybenzoate;methane;3-(methoxymethoxy)-4,4,10,13-tetramethyl-17-(7-methyloct-6-en-2-yl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene
CID 161171630
3-(4-ethylperoxyphenyl)-3-[3-(1-hydroperoxyethyl)phenyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene;3-(3-methoxyphenyl)-3-(4-methoxyphenyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
CID 158296235
N,4-dimethylaniline;(10R,13R)-3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 54136129

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-1-[3-(4-methylphenoxy)phenyl]cyclohexyl]-4-(4-methylphenoxy)benzene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(5-methylhexan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene;3-[hydroperoxy-(3-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(3-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-[hydroperoxy-(4-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(4-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-4,4,10,13-tetramethyl-17-(6-methylhept-5-en-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene?
The IUPAC name of 1-[4-ethyl-1-[3-(4-methylphenoxy)phenyl]cyclohexyl]-4-(4-methylphenoxy)benzene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(5-methylhexan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene;3-[hydroperoxy-(3-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(3-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-[hydroperoxy-(4-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(4-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-4,4,10,13-tetramethyl-17-(6-methylhept-5-en-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene (CID 157077606) is 1-[4-ethyl-1-[3-(4-methylphenoxy)phenyl]cyclohexyl]-4-(4-methylphenoxy)benzene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(5-methylhexan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene;3-[hydroperoxy-(3-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(3-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-[hydroperoxy-(4-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(4-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-4,4,10,13-tetramethyl-17-(6-methylhept-5-en-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene.
What is the SMILES notation for 1-[4-ethyl-1-[3-(4-methylphenoxy)phenyl]cyclohexyl]-4-(4-methylphenoxy)benzene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(5-methylhexan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene;3-[hydroperoxy-(3-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(3-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-[hydroperoxy-(4-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(4-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-4,4,10,13-tetramethyl-17-(6-methylhept-5-en-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene?
The canonical SMILES for 1-[4-ethyl-1-[3-(4-methylphenoxy)phenyl]cyclohexyl]-4-(4-methylphenoxy)benzene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(5-methylhexan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene;3-[hydroperoxy-(3-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(3-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-[hydroperoxy-(4-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(4-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-4,4,10,13-tetramethyl-17-(6-methylhept-5-en-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene is CC(C)=CCCC(C)C1CCC2(C)C3CC=C4C(C)(C)C(C(C)OO)CCC4(C)C3CCC12C.CC(C)=CCCC(C)C1CCC2(C)C3CCC4C(C)(C)C(C(C)OO)CCC4(C)C3CCC12C.CC(C)CCC(C)C1CCC2C3CCC4CC(C(C)OO)CCC4(C)C3CCC12C.CC(C)CCCC(C)C1CCC2C3CC=C4C(C)(C)C(C(C)OO)CCC4(C)C3CCC12C.CCC1CCC(c2ccc(Oc3ccc(C)cc3)cc2)(c2cccc(Oc3ccc(C)cc3)c2)CC1.COC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1.COC1CCC2(C)C(CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1.COC1CCC2(C)C3CCC4(C)C(C(C)CCC=C(C)C)CCC4C3CCC2C1(C)C.Cc1ccc(COOC2CC3C4CCC(C(C)CCCC(C)C)C4(C)CCC3C3(C)CCC(C(OO)c4ccc(C)cc4)CC23)cc1.Cc1cccc(COOC2CC3C4CCC(C(C)CCCC(C)C)C4(C)CCC3C3(C)CCC(C(OO)c4cccc(C)c4)CC23)c1.
What is the InChIKey of 1-[4-ethyl-1-[3-(4-methylphenoxy)phenyl]cyclohexyl]-4-(4-methylphenoxy)benzene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(5-methylhexan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene;3-[hydroperoxy-(3-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(3-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-[hydroperoxy-(4-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(4-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-4,4,10,13-tetramethyl-17-(6-methylhept-5-en-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene?
The InChIKey is ADDRHPAKUSBZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C43H64O4.C34H36O2.C32H56O2.C32H54O2.C31H54O2.C30H52O.C28H50O2.C28H50O.C28H48O/c1-28(2)11-8-14-31(5)36-17-18-37-35-26-40(47-45-27-32-15-9-12-29(3)23-32)39-25-34(41(46-44)33-16-10-13-30(4)24-33)19-21-43(39,7)38(35)20-22-42(36,37)6;1-28(2)9-8-10-31(5)36-19-20-37-35-26-40(47-45-27-32-15-11-29(3)12-16-32)39-25-34(41(46-44)33-17-13-30(4)14-18-33)21-23-43(39,7)38(35)22-24-42(36,37)6;1-4-27-20-22-34(23-21-27,28-12-18-32(19-13-28)35-30-14-8-25(2)9-15-30)29-6-5-7-33(24-29)36-31-16-10-26(3)11-17-31;2*1-21(2)11-10-12-22(3)24-16-19-32(9)27-13-14-28-29(5,6)25(23(4)34-33)15-18-30(28,7)26(27)17-20-31(24,32)8;1-20(2)10-9-11-21(3)24-13-14-26-23-12-15-28-29(5,6)25(22(4)33-32)16-19-31(28,8)27(23)17-18-30(24,26)7;1-20(2)10-9-11-21(3)23-13-14-24-22-12-15-26-28(4,5)27(31-8)17-19-30(26,7)25(22)16-18-29(23,24)6;1-18(2)7-8-19(3)24-11-12-25-23-10-9-22-17-21(20(4)30-29)13-15-27(22,5)26(23)14-16-28(24,25)6;2*1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(29-6)14-16-27(21,4)26(23)15-17-28(24,25)5/h9-10,12-13,15-16,23-24,28,31,34-41,44H,8,11,14,17-22,25-27H2,1-7H3;11-18,28,31,34-41,44H,8-10,19-27H2,1-7H3;5-19,24,27H,4,20-23H2,1-3H3;11,22-28,33H,10,12-20H2,1-9H3;11,14,22-27,33H,10,12-13,15-20H2,1-9H3;15,20-27,32H,9-14,16-19H2,1-8H3;10,21-27H,9,11-19H2,1-8H3;18-26,29H,7-17H2,1-6H3;19-26H,7-18H2,1-6H3;10,19-20,22-26H,7-9,11-18H2,1-6H3.
What are the key properties of 1-[4-ethyl-1-[3-(4-methylphenoxy)phenyl]cyclohexyl]-4-(4-methylphenoxy)benzene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(5-methylhexan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene;3-[hydroperoxy-(3-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(3-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-[hydroperoxy-(4-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(4-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-4,4,10,13-tetramethyl-17-(6-methylhept-5-en-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene?
1-[4-ethyl-1-[3-(4-methylphenoxy)phenyl]cyclohexyl]-4-(4-methylphenoxy)benzene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(5-methylhexan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene;3-[hydroperoxy-(3-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(3-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-[hydroperoxy-(4-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(4-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-4,4,10,13-tetramethyl-17-(6-methylhept-5-en-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene has a molecular weight of 4819.82 g/mol, XLogP of 94.40, 73 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-1-[3-(4-methylphenoxy)phenyl]cyclohexyl]-4-(4-methylphenoxy)benzene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(5-methylhexan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene;3-[hydroperoxy-(3-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(3-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-[hydroperoxy-(4-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(4-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-4,4,10,13-tetramethyl-17-(6-methylhept-5-en-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene is sourced from PubChem (CID 157077606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).