[2-[(8R,9S,10R,13S,14S,16R,17S)-16-ethyl-13-methyl-3-oxidanylidene-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] dodecanoate

Systemtic Name: [2-[(8R,9S,10R,13S,14S,16R,17S)-16-ethyl-13-methyl-3-oxidanylidene-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] dodecanoate Openeye Name: [2-[(8R,9S,10R,13S,14S,16R,17S)-16-ethyl-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] dodecanoate CAS Name: dodecanoic acid [2-[(8R,9S,10R,13S,14S,16R,17S)-16-ethyl-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester IUPAC Name: [2-[(8R,9S,10R,13S,14S,16R,17S)-16-ethyl-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] dodecanoate Traditional Name: lauric acid [2-[(8R,9S,10R,13S,14S,16R,17S)-16-ethyl-3-keto-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester Formula: C34H54O4 MolecularWeight: 526.79016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCC(=O)C1C(CC2C1(CCC3C2CCC4=CC(=O)CCC34)C)CC

Isomeric SMILES

CCCCCCCCCCCC(=O)OCC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)CC

InChI

InChI=1S/C34H54O4/c1-4-6-7-8-9-10-11-12-13-14-32(37)38-23-31(36)33-24(5-2)22-30-29-17-15-25-21-26(35)16-18-27(25)28(29)19-20-34(30,33)3/h21,24,27-30,33H,4-20,22-23H2,1-3H3/t24-,27+,28-,29-,30+,33-,34+/m1/s1