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

Systemtic Name: [(4S,5S,8R,9S,10R,13S,14S)-4-acetyloxy-13-methyl-5-oxidanyl-17-oxidanylidene-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-10-yl]methyl ethanoate Openeye Name: [(4S,5S,8R,9S,10R,13S,14S)-4-acetoxy-5-hydroxy-13-methyl-17-oxo-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-10-yl]methyl acetate CAS Name: acetic acid [(4S,5S,8R,9S,10R,13S,14S)-4-acetyloxy-5-hydroxy-13-methyl-17-oxo-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-10-yl]methyl ester IUPAC Name: [(4S,5S,8R,9S,10R,13S,14S)-4-acetyloxy-5-hydroxy-13-methyl-17-oxo-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-10-yl]methyl acetate Traditional Name: acetic acid [(4S,5S,8R,9S,10R,13S,14S)-4-acetoxy-5-hydroxy-17-keto-13-methyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-10-yl]methyl ester Formula: C23H34O6 MolecularWeight: 406.51246

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC12CCCC(C1(CCC3C2CCC4(C3CCC4=O)C)O)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@]12CCC[C@@H]([C@@]1(CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O)OC(=O)C

InChI

InChI=1S/C23H34O6/c1-14(24)28-13-22-10-4-5-20(29-15(2)25)23(22,27)12-8-16-17-6-7-19(26)21(17,3)11-9-18(16)22/h16-18,20,27H,4-13H2,1-3H3/t16-,17-,18-,20-,21-,22-,23+/m0/s1