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

Systemtic Name: (4R)-4-[(5R,8R,9S,10R,12S,13R,14S,17R)-10,13-dimethyl-12-oxidanyl-3,6-bis(oxidanylidene)-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid Openeye Name: (4R)-4-[(5R,8R,9S,10R,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-3,6-dioxo-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid CAS Name: (4R)-4-[(5R,8R,9S,10R,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-3,6-dioxo-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid IUPAC Name: (4R)-4-[(5R,8R,9S,10R,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-3,6-dioxo-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid Traditional Name: (4R)-4-[(5R,8R,9S,10R,12S,13R,14S,17R)-12-hydroxy-3,6-diketo-10,13-dimethyl-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid Formula: C24H36O5 MolecularWeight: 404.53964

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)O)C1CCC2C1(C(CC3C2CC(=O)C4C3(CCC(=O)C4)C)O)C

Isomeric SMILES

C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC(=O)[C@H]4[C@@]3(CCC(=O)C4)C)O)C

InChI

InChI=1S/C24H36O5/c1-13(4-7-22(28)29)16-5-6-17-15-11-20(26)19-10-14(25)8-9-23(19,2)18(15)12-21(27)24(16,17)3/h13,15-19,21,27H,4-12H2,1-3H3,(H,28,29)/t13-,15+,16-,17+,18+,19+,21+,23-,24-/m1/s1