(2E)-2-[13-methyl-3,17-bis(oxidanyl)-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-16-ylidene]ethanoic acid

Systemtic Name: (2E)-2-[13-methyl-3,17-bis(oxidanyl)-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-16-ylidene]ethanoic acid Openeye Name: (2E)-2-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-16-ylidene)acetic acid CAS Name: (2E)-2-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-16-ylidene)acetic acid IUPAC Name: (2E)-2-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-16-ylidene)acetic acid Traditional Name: (2E)-2-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-16-ylidene)acetic acid Formula: C20H24O4 MolecularWeight: 328.40216

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CC(=CC(=O)O)C2O)CCC4=C3C=CC(=C4)O

Isomeric SMILES

CC12CCC3C(C1C/C(=C\C(=O)O)/C2O)CCC4=C3C=CC(=C4)O

InChI

InChI=1S/C20H24O4/c1-20-7-6-15-14-5-3-13(21)8-11(14)2-4-16(15)17(20)9-12(19(20)24)10-18(22)23/h3,5,8,10,15-17,19,21,24H,2,4,6-7,9H2,1H3,(H,22,23)/b12-10+