4-[[(3S,5S,8R,9S,10R,13R,14R,17R)-10-methanoyl-13-methyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-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,5S,8R,9S,10R,13R,14R,17R)-10-methanoyl-13-methyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-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,5S,8R,9S,10R,13R,14R,17R)-10-formyl-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-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,5S,8R,9S,10R,13R,14R,17R)-10-formyl-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-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,5S,8R,9S,10R,13R,14R,17R)-10-formyl-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-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,5S,8R,9S,10R,13R,14R,17R)-10-formyl-14-hydroxy-17-(5-keto-2H-furan-3-yl)-13-methyl-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: C27H36O8 MolecularWeight: 488.56994

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5C3(CCC(C5)OC(=O)CCC(=O)O)C=O

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@@H]5[C@@]3(CC[C@@H](C5)OC(=O)CCC(=O)O)C=O

InChI

InChI=1S/C27H36O8/c1-25-9-7-20-21(27(25,33)11-8-19(25)16-12-24(32)34-14-16)3-2-17-13-18(6-10-26(17,20)15-28)35-23(31)5-4-22(29)30/h12,15,17-21,33H,2-11,13-14H2,1H3,(H,29,30)/t17-,18-,19+,20-,21+,25+,26+,27+/m0/s1