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

Systemtic Name: 4-[[(3S,5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-4-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(3S,5R,8R,9S,10S,13R,14S,17S)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-4-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxo-butanoic acid CAS Name: 4-[[(3S,5R,8R,9S,10S,13R,14S,17S)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-4-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid IUPAC Name: 4-[[(3S,5R,8R,9S,10S,13R,14S,17S)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-4-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid Traditional Name: 4-[[(3S,5R,8R,9S,10S,13R,14S,17S)-14-hydroxy-17-(5-keto-2H-furan-4-yl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-keto-butyric acid Formula: C27H38O7 MolecularWeight: 474.58642

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CCOC5=O)O)C)OC(=O)CCC(=O)O

Isomeric SMILES

C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CCOC5=O)O)C)OC(=O)CCC(=O)O

InChI

InChI=1S/C27H38O7/c1-25-11-7-17(34-23(30)6-5-22(28)29)15-16(25)3-4-21-20(25)8-12-26(2)19(9-13-27(21,26)32)18-10-14-33-24(18)31/h10,16-17,19-21,32H,3-9,11-15H2,1-2H3,(H,28,29)/t16-,17+,19-,20+,21-,25+,26-,27+/m1/s1