[(1R,4E,6R,9S)-4,11,11-trimethyl-8-methylidene-6-bicyclo[7.2.0]undec-4-enyl] 6-oxidanyloctadecanoate

Systemtic Name: [(1R,4E,6R,9S)-4,11,11-trimethyl-8-methylidene-6-bicyclo[7.2.0]undec-4-enyl] 6-oxidanyloctadecanoate Openeye Name: [(1R,4E,6R,9S)-4,11,11-trimethyl-8-methylene-6-bicyclo[7.2.0]undec-4-enyl] 6-hydroxyoctadecanoate CAS Name: 6-hydroxyoctadecanoic acid [(1R,4E,6R,9S)-4,11,11-trimethyl-8-methylene-6-bicyclo[7.2.0]undec-4-enyl] ester IUPAC Name: [(1R,4E,6R,9S)-4,11,11-trimethyl-8-methylidene-6-bicyclo[7.2.0]undec-4-enyl] 6-hydroxyoctadecanoate Traditional Name: 6-hydroxystearic acid [(1R,4E,6R,9S)-4,11,11-trimethyl-8-methylene-6-bicyclo[7.2.0]undec-4-enyl] ester Formula: C33H58O3 MolecularWeight: 502.81182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCCC(=O)OC1CC(=C)C2CC(C2CCC(=C1)C)(C)C)O

Isomeric SMILES

CCCCCCCCCCCCC(CCCCC(=O)O[C@@H]\1CC(=C)[C@H]2CC([C@@H]2CC/C(=C1)/C)(C)C)O

InChI

InChI=1S/C33H58O3/c1-6-7-8-9-10-11-12-13-14-15-18-28(34)19-16-17-20-32(35)36-29-23-26(2)21-22-31-30(27(3)24-29)25-33(31,4)5/h23,28-31,34H,3,6-22,24-25H2,1-2,4-5H3/b26-23+/t28?,29-,30+,31+/m0/s1