propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[2-[2-[2-[2-[2-(hydroxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-[2-[2-[2-[2-[2-(methoxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxycyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[1-[1-(1-hydroxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[2-[2-[2-[2-[2-(hydroxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-[1-[1-[1-[1-[1-[1-[1-(1-methoxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxycyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-[2-[2-[2-[2-[2-(methoxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxycyclopentyl]hept-5-enoate

C232H342O108 — CID 160836468

IUPACpropan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[2-[2-[2-[2-[2-(hydroxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-[2-[2-[2-[2-[2-(methoxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxycyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[1-[1-(1-hydroxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[2-[2-[2-[2-[2-(hydroxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-[1-[1-[1-[1-[1-[1-[1-(1-methoxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxycyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-[2-[2-[2-[2-[2-(methoxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxycyclopentyl]hept-5-enoate
SMILESCC(=O)O[C@H]1C[C@@H](OC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCO)[C@H](CC[C@@H](O)CCc2ccccc2)[C@H]1C/C=C\CCCC(=O)OC(C)C.CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)OC(C)C)[C@@H](OC(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)OC)C[C@H]1O.CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)OC(C)C)[C@@H](OC(=O)OC(C)C(=O)OC(C)C(=O)OC(C)O)C[C@H]1O.CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)OC(C)C)[C@@H](OC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCO)C[C@H]1O.CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)OC(C)C)[C@@H](OC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCOC)C[C@H]1O.COCOC(=O)COC(=O)COC(=O)COC(=O)COC(=O)COC(=O)O[C@@H]1C[C@H](OC(C)=O)[C@H](C/C=C\CCCC(=O)OC(C)C)[C@H]1CC[C@@H](O)CCc1ccccc1
InChIInChI=1S/C48H74O22.C41H56O19.C40H54O19.C36H54O18.C35H52O18.C32H52O12/c1-13-14-17-20-35(49)23-24-36-37(21-18-15-16-19-22-40(51)61-26(2)3)39(25-38(36)50)70-48(59)68-33(10)46(57)66-31(8)44(55)64-29(6)42(53)62-27(4)41(52)63-28(5)43(54)65-30(7)45(56)67-32(9)47(58)69-34(11)60-12;1-27(2)58-35(44)15-11-6-5-10-14-31-32(19-18-30(43)17-16-29-12-8-7-9-13-29)34(20-33(31)59-28(3)42)60-41(50)56-25-39(48)54-23-37(46)52-21-36(45)53-22-38(47)55-24-40(49)57-26-51-4;1-26(2)57-34(44)14-10-5-4-9-13-30-31(18-17-29(43)16-15-28-11-7-6-8-12-28)33(19-32(30)58-27(3)42)59-40(50)55-24-38(48)53-22-36(46)51-20-35(45)52-21-37(47)54-23-39(49)56-25-41;1-5-6-9-12-25(37)15-16-26-27(13-10-7-8-11-14-30(39)53-24(2)3)29(17-28(26)38)54-36(45)51-22-34(43)49-20-32(41)47-18-31(40)48-19-33(42)50-21-35(44)52-23-46-4;1-4-5-8-11-24(37)14-15-25-26(12-9-6-7-10-13-29(39)52-23(2)3)28(16-27(25)38)53-35(45)50-21-33(43)48-19-31(41)46-17-30(40)47-18-32(42)49-20-34(44)51-22-36;1-7-8-11-14-24(34)17-18-25-26(15-12-9-10-13-16-29(36)40-20(2)3)28(19-27(25)35)44-32(39)42-22(5)30(37)41-21(4)31(38)43-23(6)33/h15,18,23-24,26-39,49-50H,13-14,16-17,19-22,25H2,1-12H3;5,7-10,12-13,27,30-34,43H,6,11,14-26H2,1-4H3;4,6-9,11-12,26,29-33,41,43H,5,10,13-25H2,1-3H3;7,10,15-16,24-29,37-38H,5-6,8-9,11-14,17-23H2,1-4H3;6,9,14-15,23-28,36-38H,4-5,7-8,10-13,16-22H2,1-3H3;9,12,17-18,20-28,33-35H,7-8,10-11,13-16,19H2,1-6H3/b18-15-,24-23+;10-5-;9-4-;10-7-,16-15+;9-6-,15-14+;12-9-,18-17+/t27?,28?,29?,30?,31?,32?,33?,34?,35-,36+,37+,38+,39-;30-,31+,32+,33-,34+;29-,30+,31+,32-,33+;25-,26+,27+,28+,29-;24-,25+,26+,27+,28-;21?,22?,23?,24-,25+,26+,27+,28-/m000000/s1
InChIKeySHLXXOLLUDHABJ-MOBNGXECSA-N
MW4859.18 g/mol
LogP18.81
Rot. Bonds153

About propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[2-[2-[2-[2-[2-(hydroxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-[2-[2-[2-[2-[2-(methoxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxycyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[1-[1-(1-hydroxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[2-[2-[2-[2-[2-(hydroxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-[1-[1-[1-[1-[1-[1-[1-(1-methoxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxycyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-[2-[2-[2-[2-[2-(methoxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxycyclopentyl]hept-5-enoate

propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[2-[2-[2-[2-[2-(hydroxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-[2-[2-[2-[2-[2-(methoxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxycyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[1-[1-(1-hydroxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[2-[2-[2-[2-[2-(hydroxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-[1-[1-[1-[1-[1-[1-[1-(1-methoxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxycyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-[2-[2-[2-[2-[2-(methoxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxycyclopentyl]hept-5-enoate (PubChem CID 160836468) has the molecular formula C232H342O108 and a molecular weight of 4859.18 g/mol. Its IUPAC name is propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[2-[2-[2-[2-[2-(hydroxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-[2-[2-[2-[2-[2-(methoxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxycyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[1-[1-(1-hydroxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[2-[2-[2-[2-[2-(hydroxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-[1-[1-[1-[1-[1-[1-[1-(1-methoxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxycyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-[2-[2-[2-[2-[2-(methoxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxycyclopentyl]hept-5-enoate.

Molecular Properties

Compound Namepropan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[2-[2-[2-[2-[2-(hydroxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-[2-[2-[2-[2-[2-(methoxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxycyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[1-[1-(1-hydroxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[2-[2-[2-[2-[2-(hydroxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-[1-[1-[1-[1-[1-[1-[1-(1-methoxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxycyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-[2-[2-[2-[2-[2-(methoxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxycyclopentyl]hept-5-enoate
PubChem CID160836468
Molecular FormulaC232H342O108
Molecular Weight4859.18 g/mol
Exact Mass4856.13
IUPAC Namepropan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[2-[2-[2-[2-[2-(hydroxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-[2-[2-[2-[2-[2-(methoxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxycyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[1-[1-(1-hydroxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[2-[2-[2-[2-[2-(hydroxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-[1-[1-[1-[1-[1-[1-[1-(1-methoxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxycyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-[2-[2-[2-[2-[2-(methoxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxycyclopentyl]hept-5-enoate
SMILESCC(=O)O[C@H]1C[C@@H](OC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCO)[C@H](CC[C@@H](O)CCc2ccccc2)[C@H]1C/C=C\CCCC(=O)OC(C)C.CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)OC(C)C)[C@@H](OC(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)OC)C[C@H]1O.CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)OC(C)C)[C@@H](OC(=O)OC(C)C(=O)OC(C)C(=O)OC(C)O)C[C@H]1O.CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)OC(C)C)[C@@H](OC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCO)C[C@H]1O.CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)OC(C)C)[C@@H](OC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCOC)C[C@H]1O.COCOC(=O)COC(=O)COC(=O)COC(=O)COC(=O)COC(=O)O[C@@H]1C[C@H](OC(C)=O)[C@H](C/C=C\CCCC(=O)OC(C)C)[C@H]1CC[C@@H](O)CCc1ccccc1
InChIInChI=1S/C48H74O22.C41H56O19.C40H54O19.C36H54O18.C35H52O18.C32H52O12/c1-13-14-17-20-35(49)23-24-36-37(21-18-15-16-19-22-40(51)61-26(2)3)39(25-38(36)50)70-48(59)68-33(10)46(57)66-31(8)44(55)64-29(6)42(53)62-27(4)41(52)63-28(5)43(54)65-30(7)45(56)67-32(9)47(58)69-34(11)60-12;1-27(2)58-35(44)15-11-6-5-10-14-31-32(19-18-30(43)17-16-29-12-8-7-9-13-29)34(20-33(31)59-28(3)42)60-41(50)56-25-39(48)54-23-37(46)52-21-36(45)53-22-38(47)55-24-40(49)57-26-51-4;1-26(2)57-34(44)14-10-5-4-9-13-30-31(18-17-29(43)16-15-28-11-7-6-8-12-28)33(19-32(30)58-27(3)42)59-40(50)55-24-38(48)53-22-36(46)51-20-35(45)52-21-37(47)54-23-39(49)56-25-41;1-5-6-9-12-25(37)15-16-26-27(13-10-7-8-11-14-30(39)53-24(2)3)29(17-28(26)38)54-36(45)51-22-34(43)49-20-32(41)47-18-31(40)48-19-33(42)50-21-35(44)52-23-46-4;1-4-5-8-11-24(37)14-15-25-26(12-9-6-7-10-13-29(39)52-23(2)3)28(16-27(25)38)53-35(45)50-21-33(43)48-19-31(41)46-17-30(40)47-18-32(42)49-20-34(44)51-22-36;1-7-8-11-14-24(34)17-18-25-26(15-12-9-10-13-16-29(36)40-20(2)3)28(19-27(25)35)44-32(39)42-22(5)30(37)41-21(4)31(38)43-23(6)33/h15,18,23-24,26-39,49-50H,13-14,16-17,19-22,25H2,1-12H3;5,7-10,12-13,27,30-34,43H,6,11,14-26H2,1-4H3;4,6-9,11-12,26,29-33,41,43H,5,10,13-25H2,1-3H3;7,10,15-16,24-29,37-38H,5-6,8-9,11-14,17-23H2,1-4H3;6,9,14-15,23-28,36-38H,4-5,7-8,10-13,16-22H2,1-3H3;9,12,17-18,20-28,33-35H,7-8,10-11,13-16,19H2,1-6H3/b18-15-,24-23+;10-5-;9-4-;10-7-,16-15+;9-6-,15-14+;12-9-,18-17+/t27?,28?,29?,30?,31?,32?,33?,34?,35-,36+,37+,38+,39-;30-,31+,32+,33-,34+;29-,30+,31+,32-,33+;25-,26+,27+,28+,29-;24-,25+,26+,27+,28-;21?,22?,23?,24-,25+,26+,27+,28-/m000000/s1
InChIKeySHLXXOLLUDHABJ-MOBNGXECSA-N
XLogP18.81
TPSA1476.96 Ų
H-Bond Donors13
H-Bond Acceptors108
Rotatable Bonds153
Heavy Atoms340
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004859.18
LogP ≤ 518.81
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 10108

Analyze propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[2-[2-[2-[2-[2-(hydroxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-[2-[2-[2-[2-[2-(methoxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxycyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[1-[1-(1-hydroxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[2-[2-[2-[2-[2-(hydroxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-[1-[1-[1-[1-[1-[1-[1-(1-methoxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxycyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-[2-[2-[2-[2-[2-(methoxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxycyclopentyl]hept-5-enoate with MolForge

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Launch Full Analysis

Related Compounds

propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]oxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[1-[1-[1-[1-[1-(1-hydroxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]oxycyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]oxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxycyclopentyl]hept-5-enoate
CID 159888830
propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[1-[1-(1-hydroxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate
CID 126705938
propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]oxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]oxycyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]oxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxycyclopentyl]hept-5-enoate
CID 159280659
propan-2-yl (Z)-7-[(1R,3R,5S)-5-acetyloxy-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate
CID 139024558
[(1R,2R,3R,4S)-4-acetyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 3,4,5,6,7-pentaethyldecanoate;[(1S,2R,3R,4R)-4-acetyloxy-3-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-2-[(Z)-7-methoxy-7-oxohept-2-enyl]cyclopentyl] 3,4,5,6,7-pentaethylundecanoate;[(2R,3R,4R)-4-hydroxy-3-[(E,3S)-3-hydroxyoct-1-enyl]-2-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 3,4,5,6,7-pentaethyldecanoate
CID 159901371
[(1R,2R,3R,4S)-4-acetyloxy-2-[(3S)-3-hydroxyoctyl]-3-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 2-methylidenedecanoate;[(1S,2R,3R,4R)-4-acetyloxy-3-[(3S)-3-hydroxyoctyl]-2-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 2-methylidenedecanoate;[(1S,2R,3R,4R)-3-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-2-[(Z)-7-ethoxy-7-oxohept-2-enyl]-4-hydroxycyclopentyl] 2-methylidenedecanoate;[(1R,2R,3R,4S)-4-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-[(Z)-7-methoxy-7-oxohept-2-enyl]cyclopentyl] 2-methylidenedecanoate;[(1R,2R,3R,4S)-4-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-[(Z)-7-oxo-7-propan-2-yloxyhept-2-enyl]cyclopentyl] 2-methylidenedecanoate
CID 158882564
propan-2-yl (E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate
CID 56845829
propan-2-yl 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate
CID 170923661
propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-propan-2-yloxycyclopentyl]hept-5-enoate
CID 90141838
propan-2-yl (Z)-7-[(1R,2R)-3,5-dihydroxy-2-(3-hydroxy-8-phenyloctyl)cyclopentyl]hept-5-enoate
CID 59962083
propan-2-yl 7-[(1R,2R)-3,5-dihydroxy-2-(3-hydroxy-8-phenyloctyl)cyclopentyl]hept-5-enoate
CID 90821985
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-(3-methylphenoxy)but-1-enyl]cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-(3-methylphenoxy)but-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate
CID 159850696

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[2-[2-[2-[2-[2-(hydroxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-[2-[2-[2-[2-[2-(methoxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxycyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[1-[1-(1-hydroxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[2-[2-[2-[2-[2-(hydroxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-[1-[1-[1-[1-[1-[1-[1-(1-methoxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxycyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-[2-[2-[2-[2-[2-(methoxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxycyclopentyl]hept-5-enoate?
The IUPAC name of propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[2-[2-[2-[2-[2-(hydroxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-[2-[2-[2-[2-[2-(methoxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxycyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[1-[1-(1-hydroxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[2-[2-[2-[2-[2-(hydroxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-[1-[1-[1-[1-[1-[1-[1-(1-methoxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxycyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-[2-[2-[2-[2-[2-(methoxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxycyclopentyl]hept-5-enoate (CID 160836468) is propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[2-[2-[2-[2-[2-(hydroxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-[2-[2-[2-[2-[2-(methoxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxycyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[1-[1-(1-hydroxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[2-[2-[2-[2-[2-(hydroxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-[1-[1-[1-[1-[1-[1-[1-(1-methoxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxycyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-[2-[2-[2-[2-[2-(methoxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxycyclopentyl]hept-5-enoate.
What is the SMILES notation for propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[2-[2-[2-[2-[2-(hydroxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-[2-[2-[2-[2-[2-(methoxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxycyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[1-[1-(1-hydroxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[2-[2-[2-[2-[2-(hydroxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-[1-[1-[1-[1-[1-[1-[1-(1-methoxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxycyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-[2-[2-[2-[2-[2-(methoxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxycyclopentyl]hept-5-enoate?
The canonical SMILES for propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[2-[2-[2-[2-[2-(hydroxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-[2-[2-[2-[2-[2-(methoxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxycyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[1-[1-(1-hydroxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[2-[2-[2-[2-[2-(hydroxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-[1-[1-[1-[1-[1-[1-[1-(1-methoxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxycyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-[2-[2-[2-[2-[2-(methoxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxycyclopentyl]hept-5-enoate is CC(=O)O[C@H]1C[C@@H](OC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCO)[C@H](CC[C@@H](O)CCc2ccccc2)[C@H]1C/C=C\CCCC(=O)OC(C)C.CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)OC(C)C)[C@@H](OC(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)OC)C[C@H]1O.CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)OC(C)C)[C@@H](OC(=O)OC(C)C(=O)OC(C)C(=O)OC(C)O)C[C@H]1O.CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)OC(C)C)[C@@H](OC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCO)C[C@H]1O.CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)OC(C)C)[C@@H](OC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCOC)C[C@H]1O.COCOC(=O)COC(=O)COC(=O)COC(=O)COC(=O)COC(=O)O[C@@H]1C[C@H](OC(C)=O)[C@H](C/C=C\CCCC(=O)OC(C)C)[C@H]1CC[C@@H](O)CCc1ccccc1.
What is the InChIKey of propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[2-[2-[2-[2-[2-(hydroxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-[2-[2-[2-[2-[2-(methoxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxycyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[1-[1-(1-hydroxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[2-[2-[2-[2-[2-(hydroxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-[1-[1-[1-[1-[1-[1-[1-(1-methoxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxycyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-[2-[2-[2-[2-[2-(methoxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxycyclopentyl]hept-5-enoate?
The InChIKey is SHLXXOLLUDHABJ-MOBNGXECSA-N. The full InChI is InChI=1S/C48H74O22.C41H56O19.C40H54O19.C36H54O18.C35H52O18.C32H52O12/c1-13-14-17-20-35(49)23-24-36-37(21-18-15-16-19-22-40(51)61-26(2)3)39(25-38(36)50)70-48(59)68-33(10)46(57)66-31(8)44(55)64-29(6)42(53)62-27(4)41(52)63-28(5)43(54)65-30(7)45(56)67-32(9)47(58)69-34(11)60-12;1-27(2)58-35(44)15-11-6-5-10-14-31-32(19-18-30(43)17-16-29-12-8-7-9-13-29)34(20-33(31)59-28(3)42)60-41(50)56-25-39(48)54-23-37(46)52-21-36(45)53-22-38(47)55-24-40(49)57-26-51-4;1-26(2)57-34(44)14-10-5-4-9-13-30-31(18-17-29(43)16-15-28-11-7-6-8-12-28)33(19-32(30)58-27(3)42)59-40(50)55-24-38(48)53-22-36(46)51-20-35(45)52-21-37(47)54-23-39(49)56-25-41;1-5-6-9-12-25(37)15-16-26-27(13-10-7-8-11-14-30(39)53-24(2)3)29(17-28(26)38)54-36(45)51-22-34(43)49-20-32(41)47-18-31(40)48-19-33(42)50-21-35(44)52-23-46-4;1-4-5-8-11-24(37)14-15-25-26(12-9-6-7-10-13-29(39)52-23(2)3)28(16-27(25)38)53-35(45)50-21-33(43)48-19-31(41)46-17-30(40)47-18-32(42)49-20-34(44)51-22-36;1-7-8-11-14-24(34)17-18-25-26(15-12-9-10-13-16-29(36)40-20(2)3)28(19-27(25)35)44-32(39)42-22(5)30(37)41-21(4)31(38)43-23(6)33/h15,18,23-24,26-39,49-50H,13-14,16-17,19-22,25H2,1-12H3;5,7-10,12-13,27,30-34,43H,6,11,14-26H2,1-4H3;4,6-9,11-12,26,29-33,41,43H,5,10,13-25H2,1-3H3;7,10,15-16,24-29,37-38H,5-6,8-9,11-14,17-23H2,1-4H3;6,9,14-15,23-28,36-38H,4-5,7-8,10-13,16-22H2,1-3H3;9,12,17-18,20-28,33-35H,7-8,10-11,13-16,19H2,1-6H3/b18-15-,24-23+;10-5-;9-4-;10-7-,16-15+;9-6-,15-14+;12-9-,18-17+/t27?,28?,29?,30?,31?,32?,33?,34?,35-,36+,37+,38+,39-;30-,31+,32+,33-,34+;29-,30+,31+,32-,33+;25-,26+,27+,28+,29-;24-,25+,26+,27+,28-;21?,22?,23?,24-,25+,26+,27+,28-/m000000/s1.
What are the key properties of propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[2-[2-[2-[2-[2-(hydroxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-[2-[2-[2-[2-[2-(methoxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxycyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[1-[1-(1-hydroxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[2-[2-[2-[2-[2-(hydroxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-[1-[1-[1-[1-[1-[1-[1-(1-methoxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxycyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-[2-[2-[2-[2-[2-(methoxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxycyclopentyl]hept-5-enoate?
propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[2-[2-[2-[2-[2-(hydroxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-[2-[2-[2-[2-[2-(methoxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxycyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[1-[1-(1-hydroxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[2-[2-[2-[2-[2-(hydroxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-[1-[1-[1-[1-[1-[1-[1-(1-methoxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxycyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-[2-[2-[2-[2-[2-(methoxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxycyclopentyl]hept-5-enoate has a molecular weight of 4859.18 g/mol, XLogP of 18.81, 153 rotatable bonds, 13 hydrogen bond donors, and 108 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[2-[2-[2-[2-[2-(hydroxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-3-[2-[2-[2-[2-[2-(methoxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxycyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[1-[1-(1-hydroxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[2-[2-[2-[2-[2-(hydroxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-[1-[1-[1-[1-[1-[1-[1-(1-methoxyethoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonyloxycyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-[2-[2-[2-[2-[2-(methoxymethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]carbonyloxycyclopentyl]hept-5-enoate is sourced from PubChem (CID 160836468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).