3-acetyloxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid

Systemtic Name: 3-acetyloxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid Openeye Name: 3-acetoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid CAS Name: 3-acetyloxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid IUPAC Name: 3-acetyloxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid Traditional Name: 3-acetoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid Formula: C21H24O4 MolecularWeight: 340.41286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CC=C4C(=O)O)C

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CC=C4C(=O)O)C

InChI

InChI=1S/C21H24O4/c1-12(22)25-14-4-6-15-13(11-14)3-5-17-16(15)9-10-21(2)18(17)7-8-19(21)20(23)24/h4,6,8,11,16-18H,3,5,7,9-10H2,1-2H3,(H,23,24)