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

Systemtic Name: 3-oxidanyl-4-oxidanylidene-4-[(6S,8R,9S,10R,13S,14S,17R)-6,10,13-trimethyl-17-oxidanyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid Openeye Name: 3-hydroxy-4-[(6S,8R,9S,10R,13S,14S,17R)-17-hydroxy-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxo-butanoic acid CAS Name: 3-hydroxy-4-[(6S,8R,9S,10R,13S,14S,17R)-17-hydroxy-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutanoic acid IUPAC Name: 3-hydroxy-4-[(6S,8R,9S,10R,13S,14S,17R)-17-hydroxy-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutanoic acid Traditional Name: 3-hydroxy-4-[(6S,8R,9S,10R,13S,14S,17R)-17-hydroxy-3-keto-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-keto-butyric acid Formula: C24H34O6 MolecularWeight: 418.52316

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C(CCC3(C2CCC3(C(=O)C(CC(=O)O)O)O)C)C4(C1=CC(=O)CC4)C

Isomeric SMILES

C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C(CC(=O)O)O)O)C)[C@@]4(C1=CC(=O)CC4)C

InChI

InChI=1S/C24H34O6/c1-13-10-15-16(22(2)7-4-14(25)11-18(13)22)5-8-23(3)17(15)6-9-24(23,30)21(29)19(26)12-20(27)28/h11,13,15-17,19,26,30H,4-10,12H2,1-3H3,(H,27,28)/t13-,15+,16-,17-,19?,22+,23-,24-/m0/s1