[(8R,9R,13S,14S,17R)-17-ethanoyl-13-methyl-16-methylidene-3-oxidanylidene-2,4,5,6,7,8,9,10,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoate

Systemtic Name: [(8R,9R,13S,14S,17R)-17-ethanoyl-13-methyl-16-methylidene-3-oxidanylidene-2,4,5,6,7,8,9,10,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoate Openeye Name: [(8R,9R,13S,14S,17R)-17-acetyl-13-methyl-16-methylene-3-oxo-2,4,5,6,7,8,9,10,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate CAS Name: acetic acid [(8R,9R,13S,14S,17R)-17-acetyl-13-methyl-16-methylene-3-oxo-2,4,5,6,7,8,9,10,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(8R,9R,13S,14S,17R)-17-acetyl-13-methyl-16-methylidene-3-oxo-2,4,5,6,7,8,9,10,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate Traditional Name: acetic acid [(8R,9R,13S,14S,17R)-17-acetyl-3-keto-13-methyl-16-methylene-2,4,5,6,7,8,9,10,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ester Formula: C23H32O4 MolecularWeight: 372.49778

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C(=C)CC2C1(CCC3C2CCC4C3CCC(=O)C4)C)OC(=O)C

Isomeric SMILES

CC(=O)[C@]1(C(=C)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4C3CCC(=O)C4)C)OC(=O)C

InChI

InChI=1S/C23H32O4/c1-13-11-21-20-7-5-16-12-17(26)6-8-18(16)19(20)9-10-22(21,4)23(13,14(2)24)27-15(3)25/h16,18-21H,1,5-12H2,2-4H3/t16?,18?,19-,20-,21+,22+,23+/m1/s1