2-[10,13,17-trimethyl-7-(10-oxidanyldecyl)-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanoic acid

Systemtic Name: 2-[10,13,17-trimethyl-7-(10-oxidanyldecyl)-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanoic acid Openeye Name: 2-[7-(10-hydroxydecyl)-10,13,17-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]acetic acid CAS Name: 2-[7-(10-hydroxydecyl)-10,13,17-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]acetic acid IUPAC Name: 2-[7-(10-hydroxydecyl)-10,13,17-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]acetic acid Traditional Name: 2-[7-(10-hydroxydecyl)-3-keto-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]acetic acid Formula: C32H52O4 MolecularWeight: 500.75288

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2C1(CCC3C2C(CC4=CC(=O)CCC34C)CCCCCCCCCCO)C)CC(=O)O

Isomeric SMILES

CC1(CCC2C1(CCC3C2C(CC4=CC(=O)CCC34C)CCCCCCCCCCO)C)CC(=O)O

InChI

InChI=1S/C32H52O4/c1-30(22-28(35)36)16-14-27-29-23(12-10-8-6-4-5-7-9-11-19-33)20-24-21-25(34)13-17-31(24,2)26(29)15-18-32(27,30)3/h21,23,26-27,29,33H,4-20,22H2,1-3H3,(H,35,36)