(17-ethanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) dodecanoate

Systemtic Name: (17-ethanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) dodecanoate Openeye Name: (17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) dodecanoate CAS Name: dodecanoic acid (17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) ester IUPAC Name: (17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) dodecanoate Traditional Name: lauric acid (17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) ester Formula: C33H54O3 MolecularWeight: 498.78006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(=O)C)C)C

Isomeric SMILES

CCCCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(=O)C)C)C

InChI

InChI=1S/C33H54O3/c1-5-6-7-8-9-10-11-12-13-14-31(35)36-26-19-21-32(3)25(23-26)15-16-27-29-18-17-28(24(2)34)33(29,4)22-20-30(27)32/h15,26-30H,5-14,16-23H2,1-4H3