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

Systemtic Name: 1-[(3S,8S,9S,10S,13S,14S,17S)-10-(hydroxymethyl)-3-methoxy-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone Openeye Name: 1-[(3S,8S,9S,10S,13S,14S,17S)-10-(hydroxymethyl)-3-methoxy-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone CAS Name: 1-[(3S,8S,9S,10S,13S,14S,17S)-10-(hydroxymethyl)-3-methoxy-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone IUPAC Name: 1-[(3S,8S,9S,10S,13S,14S,17S)-10-(hydroxymethyl)-3-methoxy-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone Traditional Name: 1-[(3S,8S,9S,10S,13S,14S,17S)-3-methoxy-13-methyl-10-methylol-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone Formula: C22H34O3 MolecularWeight: 346.50356

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC)CO)C

Isomeric SMILES

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

InChI

InChI=1S/C22H34O3/c1-14(24)18-6-7-19-17-5-4-15-12-16(25-3)8-11-22(15,13-23)20(17)9-10-21(18,19)2/h4,16-20,23H,5-13H2,1-3H3/t16-,17-,18+,19-,20-,21+,22+/m0/s1