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Tetradecanoic acid, (3,3a,4,6a,7,8,9,10,10a,10b-decahydro-3a,10a-dihydroxy-2,10-dimethyl-3,8-dioxobenz[e]azulen-5-yl)methyl ester, [3aR-(3a.alpha.,6a.alpha.,10.beta.,10a.beta.,10b.beta.)]-
SpectraBase Compound ID 2xD3xeN1NQ8
InChI InChI=1S/C31H48O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-28(33)37-21-24-18-25-19-26(32)17-23(3)31(25,36)27-16-22(2)29(34)30(27,35)20-24/h16,18,23,25,27,35-36H,4-15,17,19-21H2,1-3H3
InChIKey PFQLEVVCSYMIRX-UHFFFAOYSA-N
Mol Weight 516.7 g/mol
Molecular Formula C31H48O6
Exact Mass 516.345089 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3zEV78ilmuP
Name (3a,10a-Dihydroxy-2,10-dimethyl-3,8-dioxo-3,3a,4,6a,7,8,9,10,10a,10b-decahydrobenzo[e]azulen-5-yl)methyl myristate
CAS Registry Number 77573-29-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H48O6
InChI InChI=1S/C31H48O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-28(33)37-21-24-18-25-19-26(32)17-23(3)31(25,36)27-16-22(2)29(34)30(27,35)20-24/h16,18,23,25,27,35-36H,4-15,17,19-21H2,1-3H3
InChIKey PFQLEVVCSYMIRX-UHFFFAOYSA-N
Molecular Weight 516.719 g/mol
SMILES OC12CC(=CC3CC(CC(C3(C2C=C(C1=O)C)O)C)=O)COC(=O)CCCCCCCCCCCCC
SPLASH splash10-0a4i-8890000000-1806f680e5bf33004f87
Source of Spectrum W5-0-0-0
Synonyms (3a,10a-dihydroxy-2,10-dimethyl-3,8-dioxo-4,6a,7,9,10,10b-hexahydrobenzo[e]azulen-5-yl)methyl tetradecanoate myristic acid (3a,10a-dihydroxy-3,8-diketo-2,10-dimethyl-4,6a,7,9,10,10b-hexahydrobenz[e]azulen-5-yl)methyl ester Tetradecanoic acid (3a,10a-dihydroxy-2,10-dimethyl-3,8-dioxo-4,6a,7,9,10,10b-hexahydrobenzo[e]azulen-5-yl)methyl ester Tetradecanoic acid, (3,3a,4,6a,7,8,9,10,10a,10b-decahydro-3a,10a-dihydroxy-2,10-dimethyl-3,8-dioxobenz[e]azulen-5-yl)methyl ester, [3aR-(3a.alpha.,6a.alpha.,10.beta.,10a.beta.,10b.beta.)]- [2,10-dimethyl-3a,10a-bis(oxidanyl)-3,8-bis(oxidanylidene)-4,6a,7,9,10,10b-hexahydrobenzo[e]azulen-5-yl]methyl tetradecanoate
Wiley ID 1401456