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

Systemtic Name: (4R)-4-[(5S,10S,13R,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid; methyl 4-methoxybenzoate Openeye Name: (4R)-4-[(5S,10S,13R,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid; methyl 4-methoxybenzoate CAS Name: (4R)-4-[(5S,10S,13R,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid; 4-methoxybenzoic acid methyl ester IUPAC Name: (4R)-4-[(5S,10S,13R,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid; methyl 4-methoxybenzoate Traditional Name: (4R)-4-[(5S,10S,13R,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid; 4-methoxybenzoic acid methyl ester Formula: C33H50O5 MolecularWeight: 526.7471

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C.COC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

C[C@H](CCC(=O)O)[C@H]1CCC2[C@@]1(CCC3C2CC[C@H]4[C@@]3(CCCC4)C)C.COC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C24H40O2.C9H10O3/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3;1-11-8-5-3-7(4-6-8)9(10)12-2/h16-21H,4-15H2,1-3H3,(H,25,26);3-6H,1-2H3/t16-,17+,18?,19-,20?,21?,23+,24-;/m1./s1