8-[[(3S,5R,10S,13R,14S,17R)-10,13-dimethyl-11,14-bis(oxidanyl)-17-(6-oxidanylidenepyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-8-oxidanylidene-octanoic acid

Systemtic Name: 8-[[(3S,5R,10S,13R,14S,17R)-10,13-dimethyl-11,14-bis(oxidanyl)-17-(6-oxidanylidenepyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-8-oxidanylidene-octanoic acid Openeye Name: 8-[[(3S,5R,10S,13R,14S,17R)-11,14-dihydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-8-oxo-octanoic acid CAS Name: 8-[[(3S,5R,10S,13R,14S,17R)-11,14-dihydroxy-10,13-dimethyl-17-(6-oxo-3-pyranyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-8-oxooctanoic acid IUPAC Name: 8-[[(3S,5R,10S,13R,14S,17R)-11,14-dihydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-8-oxooctanoic acid Traditional Name: 8-[[(3S,5R,10S,13R,14S,17R)-11,14-dihydroxy-17-(6-ketopyran-3-yl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-8-keto-caprylic acid Formula: C32H46O8 MolecularWeight: 558.70284

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1CCC3C2C(CC4(C3(CCC4C5=COC(=O)C=C5)O)C)O)OC(=O)CCCCCCC(=O)O

Isomeric SMILES

C[C@]12CC[C@@H](C[C@H]1CCC3C2C(C[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O)OC(=O)CCCCCCC(=O)O

InChI

InChI=1S/C32H46O8/c1-30-15-13-22(40-28(37)8-6-4-3-5-7-26(34)35)17-21(30)10-11-24-29(30)25(33)18-31(2)23(14-16-32(24,31)38)20-9-12-27(36)39-19-20/h9,12,19,21-25,29,33,38H,3-8,10-11,13-18H2,1-2H3,(H,34,35)/t21-,22+,23-,24?,25?,29?,30+,31-,32+/m1/s1