[(2S,3S)-8-methanoyl-5-methoxy-2-methyl-2-(4-methyl-2-oxidanylidene-pent-3-enyl)-3-oxidanyl-3,4-dihydrochromen-7-yl]methyl hexadecanoate

Systemtic Name: [(2S,3S)-8-methanoyl-5-methoxy-2-methyl-2-(4-methyl-2-oxidanylidene-pent-3-enyl)-3-oxidanyl-3,4-dihydrochromen-7-yl]methyl hexadecanoate Openeye Name: [(2S,3S)-8-formyl-3-hydroxy-5-methoxy-2-methyl-2-(4-methyl-2-oxo-pent-3-enyl)chroman-7-yl]methyl hexadecanoate CAS Name: hexadecanoic acid [(2S,3S)-8-formyl-3-hydroxy-5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-3,4-dihydro-2H-1-benzopyran-7-yl]methyl ester IUPAC Name: [(2S,3S)-8-formyl-3-hydroxy-5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-3,4-dihydrochromen-7-yl]methyl hexadecanoate Traditional Name: palmitic acid [(2S,3S)-8-formyl-3-hydroxy-2-(2-keto-4-methyl-pent-3-enyl)-5-methoxy-2-methyl-chroman-7-yl]methyl ester Formula: C35H54O7 MolecularWeight: 586.79906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC1=CC(=C2CC(C(OC2=C1C=O)(C)CC(=O)C=C(C)C)O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC1=CC(=C2C[C@@H]([C@](OC2=C1C=O)(C)CC(=O)C=C(C)C)O)OC

InChI

InChI=1S/C35H54O7/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-33(39)41-25-27-21-31(40-5)29-22-32(38)35(4,23-28(37)20-26(2)3)42-34(29)30(27)24-36/h20-21,24,32,38H,6-19,22-23,25H2,1-5H3/t32-,35-/m0/s1