(8R,9S,13S,14S,17S)-3,17-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2-carboxylic acid

Systemtic Name: (8R,9S,13S,14S,17S)-3,17-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2-carboxylic acid Openeye Name: (8R,9S,13S,14S,17S)-3,17-diacetoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2-carboxylic acid CAS Name: (8R,9S,13S,14S,17S)-3,17-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2-carboxylic acid IUPAC Name: (8R,9S,13S,14S,17S)-3,17-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2-carboxylic acid Traditional Name: (8R,9S,13S,14S,17S)-3,17-diacetoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2-carboxylic acid Formula: C23H28O6 MolecularWeight: 400.46482

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=C(C(=C4)OC(=O)C)C(=O)O)C

Isomeric SMILES

CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=C(C(=C4)OC(=O)C)C(=O)O)C

InChI

InChI=1S/C23H28O6/c1-12(24)28-20-10-14-4-5-16-15(17(14)11-18(20)22(26)27)8-9-23(3)19(16)6-7-21(23)29-13(2)25/h10-11,15-16,19,21H,4-9H2,1-3H3,(H,26,27)/t15-,16+,19-,21-,23-/m0/s1