[(8R,9S,13S,14S,17S)-3-acetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate

Systemtic Name: [(8R,9S,13S,14S,17S)-3-acetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate Openeye Name: [(8R,9S,13S,14S,17S)-3-acetoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(8R,9S,13S,14S,17S)-3-acetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(8R,9S,13S,14S,17S)-3-acetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(8R,9S,13S,14S,17S)-3-acetoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C25H34O4 MolecularWeight: 398.53506

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CCC4OC(=O)C(C)(C)C)C

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4OC(=O)C(C)(C)C)C

InChI

InChI=1S/C25H34O4/c1-15(26)28-17-7-9-18-16(14-17)6-8-20-19(18)12-13-25(5)21(20)10-11-22(25)29-23(27)24(2,3)4/h7,9,14,19-22H,6,8,10-13H2,1-5H3/t19-,20-,21+,22+,25+/m1/s1