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

Systemtic Name: [(3S,8R,9S,10S,13S,14S,17S)-17-acetyloxy-10-(hydroxymethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3S,8R,9S,10S,13S,14S,17S)-17-acetoxy-10-(hydroxymethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3S,8R,9S,10S,13S,14S,17S)-17-acetyloxy-10-(hydroxymethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,8R,9S,10S,13S,14S,17S)-17-acetyloxy-10-(hydroxymethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3S,8R,9S,10S,13S,14S,17S)-17-acetoxy-13-methyl-10-methylol-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C23H34O5 MolecularWeight: 390.51306

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4OC(=O)C)C)CO

Isomeric SMILES

CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4OC(=O)C)C)CO

InChI

InChI=1S/C23H34O5/c1-14(25)27-17-8-11-23(13-24)16(12-17)4-5-18-19-6-7-21(28-15(2)26)22(19,3)10-9-20(18)23/h4,17-21,24H,5-13H2,1-3H3/t17-,18-,19-,20-,21-,22-,23+/m0/s1