[(8R,9S,13S,14S,17S)-13-methyl-3,4-bis(oxidanyl)-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ethanoate

Systemtic Name: [(8R,9S,13S,14S,17S)-13-methyl-3,4-bis(oxidanyl)-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ethanoate Openeye Name: [(8R,9S,13S,14S,17S)-3,4-dihydroxy-13-methyl-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate CAS Name: acetic acid [(8R,9S,13S,14S,17S)-3,4-dihydroxy-13-methyl-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(8R,9S,13S,14S,17S)-3,4-dihydroxy-13-methyl-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate Traditional Name: acetic acid [(8R,9S,13S,14S,17S)-3,4-dihydroxy-13-methyl-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C20H28O4 MolecularWeight: 332.43392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(C4O)O)C

Isomeric SMILES

CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(C4O)O)C

InChI

InChI=1S/C20H28O4/c1-11(21)24-18-8-6-16-14-3-4-15-12(5-7-17(22)19(15)23)13(14)9-10-20(16,18)2/h5,7,13-14,16-19,22-23H,3-4,6,8-10H2,1-2H3/t13-,14-,16+,17?,18+,19?,20+/m1/s1