methyl (4R)-4-[(5R,8R,9S,10S,13R,17R)-10,13-dimethyl-3,12-bis(oxidanylidene)-2,4,5,6,7,8,9,11,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

Systemtic Name: methyl (4R)-4-[(5R,8R,9S,10S,13R,17R)-10,13-dimethyl-3,12-bis(oxidanylidene)-2,4,5,6,7,8,9,11,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Openeye Name: methyl (4R)-4-[(5R,8R,9S,10S,13R,17R)-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate CAS Name: (4R)-4-[(5R,8R,9S,10S,13R,17R)-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester IUPAC Name: methyl (4R)-4-[(5R,8R,9S,10S,13R,17R)-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Traditional Name: (4R)-4-[(5R,8R,9S,10S,13R,17R)-3,12-diketo-10,13-dimethyl-2,4,5,6,7,8,9,11,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid methyl ester Formula: C25H36O4 MolecularWeight: 400.55094

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OC)C1CC=C2C1(C(=O)CC3C2CCC4C3(CCC(=O)C4)C)C

Isomeric SMILES

C[C@H](CCC(=O)OC)[C@H]1CC=C2[C@@]1(C(=O)C[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C

InChI

InChI=1S/C25H36O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h9,15-16,18-19,21H,5-8,10-14H2,1-4H3/t15-,16-,18+,19-,21+,24+,25-/m1/s1