[(6aR,10aS)-6,6-dimethyl-1-oxidanyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-10-yl]methyl hexadecanoate

Systemtic Name: [(6aR,10aS)-6,6-dimethyl-1-oxidanyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-10-yl]methyl hexadecanoate Openeye Name: [(6aR,10aS)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-10-yl]methyl hexadecanoate CAS Name: hexadecanoic acid [(6aR,10aS)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c][1]benzopyran-10-yl]methyl ester IUPAC Name: [(6aR,10aS)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-10-yl]methyl hexadecanoate Traditional Name: palmitic acid [(6aR,10aS)-3-amyl-1-hydroxy-6,6-dimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-10-yl]methyl ester Formula: C37H60O4 MolecularWeight: 568.8699

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC1=CCCC2C1C3=C(C=C(C=C3O)CCCCC)OC2(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC1=CCC[C@@H]2[C@@H]1C3=C(C=C(C=C3O)CCCCC)OC2(C)C

InChI

InChI=1S/C37H60O4/c1-5-7-9-10-11-12-13-14-15-16-17-18-20-25-34(39)40-28-30-23-21-24-31-35(30)36-32(38)26-29(22-19-8-6-2)27-33(36)41-37(31,3)4/h23,26-27,31,35,38H,5-22,24-25,28H2,1-4H3/t31-,35-/m1/s1