tert-butyl [20-hydroxy-2-(2-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl] carbonate;tert-butyl [20-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl] carbonate;tert-butyl 2-[[20-hydroxy-2-(2-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl]oxy]acetate;tert-butyl 2-[[20-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl]oxy]acetate;ethane;2-[1-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]ethyl]-4-(4-hydroxyphenyl)phenol;bis(2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-phenylmethyl]-4-(4-hydroxyphenyl)phenol);iodomethane;2-methyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol;naphthalene;bis(2-phenyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol);bis(2-phenyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-7,19-diol)

C390H340I14O51 — CID 159565561

IUPACtert-butyl [20-hydroxy-2-(2-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl] carbonate;tert-butyl [20-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl] carbonate;tert-butyl 2-[[20-hydroxy-2-(2-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl]oxy]acetate;tert-butyl 2-[[20-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl]oxy]acetate;ethane;2-[1-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]ethyl]-4-(4-hydroxyphenyl)phenol;bis(2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-phenylmethyl]-4-(4-hydroxyphenyl)phenol);iodomethane;2-methyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol;naphthalene;bis(2-phenyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol);bis(2-phenyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-7,19-diol)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)OC(=O)COc1ccc2ccc3c(c2c1)C(c1cc(I)c(O)c(I)c1)c1c(ccc2ccc(O)cc12)O3.CC(C)(C)OC(=O)COc1ccc2ccc3c(c2c1)C(c1cc(I)cc(I)c1O)c1c(ccc2ccc(O)cc12)O3.CC(C)(C)OC(=O)Oc1ccc2ccc3c(c2c1)C(c1cc(I)c(O)c(I)c1)c1c(ccc2ccc(O)cc12)O3.CC(C)(C)OC(=O)Oc1ccc2ccc3c(c2c1)C(c1cc(I)cc(I)c1O)c1c(ccc2ccc(O)cc12)O3.CC(c1cc(-c2ccc(O)cc2)ccc1O)c1cc(-c2ccc(O)cc2)ccc1O.CC1c2c(ccc3ccc(O)cc23)Oc2ccc3ccc(O)cc3c21.CI.CI.CI.CI.CI.CI.Oc1ccc(-c2ccc(O)c(C(c3ccccc3)c3cc(-c4ccc(O)cc4)ccc3O)c2)cc1.Oc1ccc(-c2ccc(O)c(C(c3ccccc3)c3cc(-c4ccc(O)cc4)ccc3O)c2)cc1.Oc1ccc2c3c(ccc2c1)Oc1ccc2cc(O)ccc2c1C3c1ccccc1.Oc1ccc2c3c(ccc2c1)Oc1ccc2cc(O)ccc2c1C3c1ccccc1.Oc1ccc2ccc3c(c2c1)C(c1ccccc1)c1c(ccc2ccc(O)cc12)O3.Oc1ccc2ccc3c(c2c1)C(c1ccccc1)c1c(ccc2ccc(O)cc12)O3.c1ccc2ccccc2c1.c1ccc2ccccc2c1
InChIInChI=1S/2C33H26I2O6.2C32H24I2O6.2C31H24O4.4C27H18O3.C26H22O4.C22H16O3.2C10H8.8C2H6.6CH3I/c1-33(2,3)41-28(37)16-39-21-9-5-18-7-11-27-30(23(18)15-21)31(24-12-19(34)13-25(35)32(24)38)29-22-14-20(36)8-4-17(22)6-10-26(29)40-27;1-33(2,3)41-28(37)16-39-21-9-5-18-7-11-27-31(23(18)15-21)29(19-12-24(34)32(38)25(35)13-19)30-22-14-20(36)8-4-17(22)6-10-26(30)40-27;1-32(2,3)40-31(37)38-20-9-5-17-7-11-26-28(22(17)15-20)29(23-12-18(33)13-24(34)30(23)36)27-21-14-19(35)8-4-16(21)6-10-25(27)39-26;1-32(2,3)40-31(37)38-20-9-5-17-7-11-26-29(22(17)15-20)27(18-12-23(33)30(36)24(34)13-18)28-21-14-19(35)8-4-16(21)6-10-25(28)39-26;2*32-25-12-6-20(7-13-25)23-10-16-29(34)27(18-23)31(22-4-2-1-3-5-22)28-19-24(11-17-30(28)35)21-8-14-26(33)15-9-21;2*28-19-8-10-21-17(14-19)6-12-23-26(21)25(16-4-2-1-3-5-16)27-22-11-9-20(29)15-18(22)7-13-24(27)30-23;2*28-19-10-6-16-8-12-23-26(21(16)14-19)25(18-4-2-1-3-5-18)27-22-15-20(29)11-7-17(22)9-13-24(27)30-23;1-16(23-14-19(6-12-25(23)29)17-2-8-21(27)9-3-17)24-15-20(7-13-26(24)30)18-4-10-22(28)11-5-18;1-12-21-17-10-15(23)6-2-13(17)4-8-19(21)25-20-9-5-14-3-7-16(24)11-18(14)22(12)20;2*1-2-6-10-8-4-3-7-9(10)5-1;14*1-2/h4-15,31,36,38H,16H2,1-3H3;4-15,29,36,38H,16H2,1-3H3;4-15,29,35-36H,1-3H3;4-15,27,35-36H,1-3H3;2*1-19,31-35H;4*1-15,25,28-29H;2-16,27-30H,1H3;2-12,23-24H,1H3;2*1-8H;8*1-2H3;6*1H3
InChIKeyMHDPTWHFJDNRLT-UHFFFAOYSA-N
MW7619.62 g/mol
LogP108.33
Rot. Bonds30

About tert-butyl [20-hydroxy-2-(2-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl] carbonate;tert-butyl [20-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl] carbonate;tert-butyl 2-[[20-hydroxy-2-(2-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl]oxy]acetate;tert-butyl 2-[[20-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl]oxy]acetate;ethane;2-[1-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]ethyl]-4-(4-hydroxyphenyl)phenol;bis(2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-phenylmethyl]-4-(4-hydroxyphenyl)phenol);iodomethane;2-methyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol;naphthalene;bis(2-phenyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol);bis(2-phenyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-7,19-diol)

tert-butyl [20-hydroxy-2-(2-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl] carbonate;tert-butyl [20-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl] carbonate;tert-butyl 2-[[20-hydroxy-2-(2-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl]oxy]acetate;tert-butyl 2-[[20-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl]oxy]acetate;ethane;2-[1-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]ethyl]-4-(4-hydroxyphenyl)phenol;bis(2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-phenylmethyl]-4-(4-hydroxyphenyl)phenol);iodomethane;2-methyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol;naphthalene;bis(2-phenyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol);bis(2-phenyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-7,19-diol) (PubChem CID 159565561) has the molecular formula C390H340I14O51 and a molecular weight of 7619.62 g/mol. Its IUPAC name is tert-butyl [20-hydroxy-2-(2-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl] carbonate;tert-butyl [20-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl] carbonate;tert-butyl 2-[[20-hydroxy-2-(2-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl]oxy]acetate;tert-butyl 2-[[20-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl]oxy]acetate;ethane;2-[1-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]ethyl]-4-(4-hydroxyphenyl)phenol;bis(2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-phenylmethyl]-4-(4-hydroxyphenyl)phenol);iodomethane;2-methyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol;naphthalene;bis(2-phenyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol);bis(2-phenyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-7,19-diol).

Molecular Properties

Compound Nametert-butyl [20-hydroxy-2-(2-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl] carbonate;tert-butyl [20-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl] carbonate;tert-butyl 2-[[20-hydroxy-2-(2-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl]oxy]acetate;tert-butyl 2-[[20-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl]oxy]acetate;ethane;2-[1-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]ethyl]-4-(4-hydroxyphenyl)phenol;bis(2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-phenylmethyl]-4-(4-hydroxyphenyl)phenol);iodomethane;2-methyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol;naphthalene;bis(2-phenyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol);bis(2-phenyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-7,19-diol)
PubChem CID159565561
Molecular FormulaC390H340I14O51
Molecular Weight7619.62 g/mol
Exact Mass7615.06
IUPAC Nametert-butyl [20-hydroxy-2-(2-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl] carbonate;tert-butyl [20-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl] carbonate;tert-butyl 2-[[20-hydroxy-2-(2-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl]oxy]acetate;tert-butyl 2-[[20-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl]oxy]acetate;ethane;2-[1-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]ethyl]-4-(4-hydroxyphenyl)phenol;bis(2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-phenylmethyl]-4-(4-hydroxyphenyl)phenol);iodomethane;2-methyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol;naphthalene;bis(2-phenyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol);bis(2-phenyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-7,19-diol)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)OC(=O)COc1ccc2ccc3c(c2c1)C(c1cc(I)c(O)c(I)c1)c1c(ccc2ccc(O)cc12)O3.CC(C)(C)OC(=O)COc1ccc2ccc3c(c2c1)C(c1cc(I)cc(I)c1O)c1c(ccc2ccc(O)cc12)O3.CC(C)(C)OC(=O)Oc1ccc2ccc3c(c2c1)C(c1cc(I)c(O)c(I)c1)c1c(ccc2ccc(O)cc12)O3.CC(C)(C)OC(=O)Oc1ccc2ccc3c(c2c1)C(c1cc(I)cc(I)c1O)c1c(ccc2ccc(O)cc12)O3.CC(c1cc(-c2ccc(O)cc2)ccc1O)c1cc(-c2ccc(O)cc2)ccc1O.CC1c2c(ccc3ccc(O)cc23)Oc2ccc3ccc(O)cc3c21.CI.CI.CI.CI.CI.CI.Oc1ccc(-c2ccc(O)c(C(c3ccccc3)c3cc(-c4ccc(O)cc4)ccc3O)c2)cc1.Oc1ccc(-c2ccc(O)c(C(c3ccccc3)c3cc(-c4ccc(O)cc4)ccc3O)c2)cc1.Oc1ccc2c3c(ccc2c1)Oc1ccc2cc(O)ccc2c1C3c1ccccc1.Oc1ccc2c3c(ccc2c1)Oc1ccc2cc(O)ccc2c1C3c1ccccc1.Oc1ccc2ccc3c(c2c1)C(c1ccccc1)c1c(ccc2ccc(O)cc12)O3.Oc1ccc2ccc3c(c2c1)C(c1ccccc1)c1c(ccc2ccc(O)cc12)O3.c1ccc2ccccc2c1.c1ccc2ccccc2c1
InChIInChI=1S/2C33H26I2O6.2C32H24I2O6.2C31H24O4.4C27H18O3.C26H22O4.C22H16O3.2C10H8.8C2H6.6CH3I/c1-33(2,3)41-28(37)16-39-21-9-5-18-7-11-27-30(23(18)15-21)31(24-12-19(34)13-25(35)32(24)38)29-22-14-20(36)8-4-17(22)6-10-26(29)40-27;1-33(2,3)41-28(37)16-39-21-9-5-18-7-11-27-31(23(18)15-21)29(19-12-24(34)32(38)25(35)13-19)30-22-14-20(36)8-4-17(22)6-10-26(30)40-27;1-32(2,3)40-31(37)38-20-9-5-17-7-11-26-28(22(17)15-20)29(23-12-18(33)13-24(34)30(23)36)27-21-14-19(35)8-4-16(21)6-10-25(27)39-26;1-32(2,3)40-31(37)38-20-9-5-17-7-11-26-29(22(17)15-20)27(18-12-23(33)30(36)24(34)13-18)28-21-14-19(35)8-4-16(21)6-10-25(28)39-26;2*32-25-12-6-20(7-13-25)23-10-16-29(34)27(18-23)31(22-4-2-1-3-5-22)28-19-24(11-17-30(28)35)21-8-14-26(33)15-9-21;2*28-19-8-10-21-17(14-19)6-12-23-26(21)25(16-4-2-1-3-5-16)27-22-11-9-20(29)15-18(22)7-13-24(27)30-23;2*28-19-10-6-16-8-12-23-26(21(16)14-19)25(18-4-2-1-3-5-18)27-22-15-20(29)11-7-17(22)9-13-24(27)30-23;1-16(23-14-19(6-12-25(23)29)17-2-8-21(27)9-3-17)24-15-20(7-13-26(24)30)18-4-10-22(28)11-5-18;1-12-21-17-10-15(23)6-2-13(17)4-8-19(21)25-20-9-5-14-3-7-16(24)11-18(14)22(12)20;2*1-2-6-10-8-4-3-7-9(10)5-1;14*1-2/h4-15,31,36,38H,16H2,1-3H3;4-15,29,36,38H,16H2,1-3H3;4-15,29,35-36H,1-3H3;4-15,27,35-36H,1-3H3;2*1-19,31-35H;4*1-15,25,28-29H;2-16,27-30H,1H3;2-12,23-24H,1H3;2*1-8H;8*1-2H3;6*1H3
InChIKeyMHDPTWHFJDNRLT-UHFFFAOYSA-N
XLogP108.33
TPSA832.09 Ų
H-Bond Donors30
H-Bond Acceptors51
Rotatable Bonds30
Heavy Atoms455
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5007619.62
LogP ≤ 5108.33
H-Bond Donors ≤ 530
H-Bond Acceptors ≤ 1051

Analyze tert-butyl [20-hydroxy-2-(2-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl] carbonate;tert-butyl [20-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl] carbonate;tert-butyl 2-[[20-hydroxy-2-(2-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl]oxy]acetate;tert-butyl 2-[[20-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl]oxy]acetate;ethane;2-[1-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]ethyl]-4-(4-hydroxyphenyl)phenol;bis(2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-phenylmethyl]-4-(4-hydroxyphenyl)phenol);iodomethane;2-methyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol;naphthalene;bis(2-phenyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol);bis(2-phenyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-7,19-diol) with MolForge

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What is the IUPAC name of tert-butyl [20-hydroxy-2-(2-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl] carbonate;tert-butyl [20-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl] carbonate;tert-butyl 2-[[20-hydroxy-2-(2-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl]oxy]acetate;tert-butyl 2-[[20-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl]oxy]acetate;ethane;2-[1-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]ethyl]-4-(4-hydroxyphenyl)phenol;bis(2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-phenylmethyl]-4-(4-hydroxyphenyl)phenol);iodomethane;2-methyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol;naphthalene;bis(2-phenyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol);bis(2-phenyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-7,19-diol)?
The IUPAC name of tert-butyl [20-hydroxy-2-(2-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl] carbonate;tert-butyl [20-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl] carbonate;tert-butyl 2-[[20-hydroxy-2-(2-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl]oxy]acetate;tert-butyl 2-[[20-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl]oxy]acetate;ethane;2-[1-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]ethyl]-4-(4-hydroxyphenyl)phenol;bis(2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-phenylmethyl]-4-(4-hydroxyphenyl)phenol);iodomethane;2-methyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol;naphthalene;bis(2-phenyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol);bis(2-phenyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-7,19-diol) (CID 159565561) is tert-butyl [20-hydroxy-2-(2-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl] carbonate;tert-butyl [20-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl] carbonate;tert-butyl 2-[[20-hydroxy-2-(2-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl]oxy]acetate;tert-butyl 2-[[20-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl]oxy]acetate;ethane;2-[1-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]ethyl]-4-(4-hydroxyphenyl)phenol;bis(2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-phenylmethyl]-4-(4-hydroxyphenyl)phenol);iodomethane;2-methyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol;naphthalene;bis(2-phenyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol);bis(2-phenyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-7,19-diol).
What is the SMILES notation for tert-butyl [20-hydroxy-2-(2-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl] carbonate;tert-butyl [20-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl] carbonate;tert-butyl 2-[[20-hydroxy-2-(2-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl]oxy]acetate;tert-butyl 2-[[20-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl]oxy]acetate;ethane;2-[1-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]ethyl]-4-(4-hydroxyphenyl)phenol;bis(2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-phenylmethyl]-4-(4-hydroxyphenyl)phenol);iodomethane;2-methyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol;naphthalene;bis(2-phenyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol);bis(2-phenyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-7,19-diol)?
The canonical SMILES for tert-butyl [20-hydroxy-2-(2-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl] carbonate;tert-butyl [20-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl] carbonate;tert-butyl 2-[[20-hydroxy-2-(2-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl]oxy]acetate;tert-butyl 2-[[20-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl]oxy]acetate;ethane;2-[1-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]ethyl]-4-(4-hydroxyphenyl)phenol;bis(2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-phenylmethyl]-4-(4-hydroxyphenyl)phenol);iodomethane;2-methyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol;naphthalene;bis(2-phenyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol);bis(2-phenyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-7,19-diol) is CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)OC(=O)COc1ccc2ccc3c(c2c1)C(c1cc(I)c(O)c(I)c1)c1c(ccc2ccc(O)cc12)O3.CC(C)(C)OC(=O)COc1ccc2ccc3c(c2c1)C(c1cc(I)cc(I)c1O)c1c(ccc2ccc(O)cc12)O3.CC(C)(C)OC(=O)Oc1ccc2ccc3c(c2c1)C(c1cc(I)c(O)c(I)c1)c1c(ccc2ccc(O)cc12)O3.CC(C)(C)OC(=O)Oc1ccc2ccc3c(c2c1)C(c1cc(I)cc(I)c1O)c1c(ccc2ccc(O)cc12)O3.CC(c1cc(-c2ccc(O)cc2)ccc1O)c1cc(-c2ccc(O)cc2)ccc1O.CC1c2c(ccc3ccc(O)cc23)Oc2ccc3ccc(O)cc3c21.CI.CI.CI.CI.CI.CI.Oc1ccc(-c2ccc(O)c(C(c3ccccc3)c3cc(-c4ccc(O)cc4)ccc3O)c2)cc1.Oc1ccc(-c2ccc(O)c(C(c3ccccc3)c3cc(-c4ccc(O)cc4)ccc3O)c2)cc1.Oc1ccc2c3c(ccc2c1)Oc1ccc2cc(O)ccc2c1C3c1ccccc1.Oc1ccc2c3c(ccc2c1)Oc1ccc2cc(O)ccc2c1C3c1ccccc1.Oc1ccc2ccc3c(c2c1)C(c1ccccc1)c1c(ccc2ccc(O)cc12)O3.Oc1ccc2ccc3c(c2c1)C(c1ccccc1)c1c(ccc2ccc(O)cc12)O3.c1ccc2ccccc2c1.c1ccc2ccccc2c1.
What is the InChIKey of tert-butyl [20-hydroxy-2-(2-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl] carbonate;tert-butyl [20-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl] carbonate;tert-butyl 2-[[20-hydroxy-2-(2-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl]oxy]acetate;tert-butyl 2-[[20-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl]oxy]acetate;ethane;2-[1-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]ethyl]-4-(4-hydroxyphenyl)phenol;bis(2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-phenylmethyl]-4-(4-hydroxyphenyl)phenol);iodomethane;2-methyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol;naphthalene;bis(2-phenyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol);bis(2-phenyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-7,19-diol)?
The InChIKey is MHDPTWHFJDNRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H26I2O6.2C32H24I2O6.2C31H24O4.4C27H18O3.C26H22O4.C22H16O3.2C10H8.8C2H6.6CH3I/c1-33(2,3)41-28(37)16-39-21-9-5-18-7-11-27-30(23(18)15-21)31(24-12-19(34)13-25(35)32(24)38)29-22-14-20(36)8-4-17(22)6-10-26(29)40-27;1-33(2,3)41-28(37)16-39-21-9-5-18-7-11-27-31(23(18)15-21)29(19-12-24(34)32(38)25(35)13-19)30-22-14-20(36)8-4-17(22)6-10-26(30)40-27;1-32(2,3)40-31(37)38-20-9-5-17-7-11-26-28(22(17)15-20)29(23-12-18(33)13-24(34)30(23)36)27-21-14-19(35)8-4-16(21)6-10-25(27)39-26;1-32(2,3)40-31(37)38-20-9-5-17-7-11-26-29(22(17)15-20)27(18-12-23(33)30(36)24(34)13-18)28-21-14-19(35)8-4-16(21)6-10-25(28)39-26;2*32-25-12-6-20(7-13-25)23-10-16-29(34)27(18-23)31(22-4-2-1-3-5-22)28-19-24(11-17-30(28)35)21-8-14-26(33)15-9-21;2*28-19-8-10-21-17(14-19)6-12-23-26(21)25(16-4-2-1-3-5-16)27-22-11-9-20(29)15-18(22)7-13-24(27)30-23;2*28-19-10-6-16-8-12-23-26(21(16)14-19)25(18-4-2-1-3-5-18)27-22-15-20(29)11-7-17(22)9-13-24(27)30-23;1-16(23-14-19(6-12-25(23)29)17-2-8-21(27)9-3-17)24-15-20(7-13-26(24)30)18-4-10-22(28)11-5-18;1-12-21-17-10-15(23)6-2-13(17)4-8-19(21)25-20-9-5-14-3-7-16(24)11-18(14)22(12)20;2*1-2-6-10-8-4-3-7-9(10)5-1;14*1-2/h4-15,31,36,38H,16H2,1-3H3;4-15,29,36,38H,16H2,1-3H3;4-15,29,35-36H,1-3H3;4-15,27,35-36H,1-3H3;2*1-19,31-35H;4*1-15,25,28-29H;2-16,27-30H,1H3;2-12,23-24H,1H3;2*1-8H;8*1-2H3;6*1H3.
What are the key properties of tert-butyl [20-hydroxy-2-(2-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl] carbonate;tert-butyl [20-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl] carbonate;tert-butyl 2-[[20-hydroxy-2-(2-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl]oxy]acetate;tert-butyl 2-[[20-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl]oxy]acetate;ethane;2-[1-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]ethyl]-4-(4-hydroxyphenyl)phenol;bis(2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-phenylmethyl]-4-(4-hydroxyphenyl)phenol);iodomethane;2-methyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol;naphthalene;bis(2-phenyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol);bis(2-phenyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-7,19-diol)?
tert-butyl [20-hydroxy-2-(2-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl] carbonate;tert-butyl [20-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl] carbonate;tert-butyl 2-[[20-hydroxy-2-(2-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl]oxy]acetate;tert-butyl 2-[[20-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl]oxy]acetate;ethane;2-[1-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]ethyl]-4-(4-hydroxyphenyl)phenol;bis(2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-phenylmethyl]-4-(4-hydroxyphenyl)phenol);iodomethane;2-methyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol;naphthalene;bis(2-phenyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol);bis(2-phenyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-7,19-diol) has a molecular weight of 7619.62 g/mol, XLogP of 108.33, 30 rotatable bonds, 30 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [20-hydroxy-2-(2-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl] carbonate;tert-butyl [20-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl] carbonate;tert-butyl 2-[[20-hydroxy-2-(2-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl]oxy]acetate;tert-butyl 2-[[20-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl]oxy]acetate;ethane;2-[1-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]ethyl]-4-(4-hydroxyphenyl)phenol;bis(2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-phenylmethyl]-4-(4-hydroxyphenyl)phenol);iodomethane;2-methyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol;naphthalene;bis(2-phenyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol);bis(2-phenyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-7,19-diol) is sourced from PubChem (CID 159565561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).