methyl (4R)-4-[(3R,10S,13R)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

Systemtic Name: methyl (4R)-4-[(3R,10S,13R)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Openeye Name: methyl (4R)-4-[(3R,10S,13R)-3-acetoxy-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate CAS Name: (4R)-4-[(3R,10S,13R)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester IUPAC Name: methyl (4R)-4-[(3R,10S,13R)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Traditional Name: (4R)-4-[(3R,10S,13R)-3-acetoxy-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid methyl ester Formula: C27H42O4 MolecularWeight: 430.61998

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OC)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)OC(=O)C)C)C

Isomeric SMILES

C[C@H](CCC(=O)OC)C1CCC2[C@@]1(CCC3C2=CCC4[C@@]3(CC[C@H](C4)OC(=O)C)C)C

InChI

InChI=1S/C27H42O4/c1-17(6-11-25(29)30-5)22-9-10-23-21-8-7-19-16-20(31-18(2)28)12-14-26(19,3)24(21)13-15-27(22,23)4/h8,17,19-20,22-24H,6-7,9-16H2,1-5H3/t17-,19?,20-,22?,23?,24?,26+,27-/m1/s1