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2H-Pyran-2-dodecanoic acid, 6-(17,19-dimethylheneicosyl)tetrahydro-, methyl ester
SpectraBase Compound ID GpuvJOe2EQN
InChI InChI=1S/C41H80O3/c1-5-37(2)36-38(3)30-25-21-17-13-10-8-6-7-9-11-14-18-22-26-31-39-33-29-34-40(44-39)32-27-23-19-15-12-16-20-24-28-35-41(42)43-4/h37-40H,5-36H2,1-4H3
InChIKey CLUMIZPDMRSNBW-UHFFFAOYSA-N
Mol Weight 621.1 g/mol
Molecular Formula C41H80O3
Exact Mass 620.610746 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4xKhWRVfxG3
Name 2H-Pyran-2-dodecanoic acid, 6-(17,19-dimethylheneicosyl)tetrahydro-, methyl ester
CAS Registry Number 18082-15-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H80O3
InChI InChI=1S/C41H80O3/c1-5-37(2)36-38(3)30-25-21-17-13-10-8-6-7-9-11-14-18-22-26-31-39-33-29-34-40(44-39)32-27-23-19-15-12-16-20-24-28-35-41(42)43-4/h37-40H,5-36H2,1-4H3
InChIKey CLUMIZPDMRSNBW-UHFFFAOYSA-N
Molecular Weight 621.088 g/mol
SMILES C(CC1OC(CCCCCCCCCCCCCCCCC(CC(CC)C)C)CCC1)CCCCCCCCCC(OC)=O
SPLASH splash10-0a5a-9210000000-a991503fa54cb864ce88
Source of Spectrum SD-1981-0-0
Synonyms Methyl 12-[6-(17,19-dimethylhenicosyl)tetrahydro-2H-pyran-2-yl]dodecanoate 12-[6-(17,19-dimethylheneicosyl)-2-oxanyl]dodecanoic acid methyl ester 12-[6-(17,19-dimethylheneicosyl)tetrahydropyran-2-yl]lauric acid methyl ester Methyl 12-[6-(17,19-dimethylhenicosyl)oxan-2-yl]dodecanoate Methyl 12-[6-(17,19-dimethylhenicosyl)tetrahydropyran-2-yl]dodecanoate
Wiley ID 1411576