2-(16-bromanyl-13-methyl-3-oxidanyl-17-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl)ethanoic acid

Systemtic Name: 2-(16-bromanyl-13-methyl-3-oxidanyl-17-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl)ethanoic acid Openeye Name: 2-(16-bromo-3-hydroxy-13-methyl-17-oxo-2,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl)acetic acid CAS Name: 2-(16-bromo-3-hydroxy-13-methyl-17-oxo-2,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl)acetic acid IUPAC Name: 2-(16-bromo-3-hydroxy-13-methyl-17-oxo-2,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl)acetic acid Traditional Name: 2-(16-bromo-3-hydroxy-17-keto-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl)acetic acid Formula: C20H25BrO4 MolecularWeight: 409.3141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CC(C2=O)Br)CCC4=CC(CC=C34)(CC(=O)O)O

Isomeric SMILES

CC12CCC3C(C1CC(C2=O)Br)CCC4=CC(CC=C34)(CC(=O)O)O

InChI

InChI=1S/C20H25BrO4/c1-19-6-4-13-12-5-7-20(25,10-17(22)23)9-11(12)2-3-14(13)15(19)8-16(21)18(19)24/h5,9,13-16,25H,2-4,6-8,10H2,1H3,(H,22,23)