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1-Naphthalenepentanoic acid, decahydro-2-hydroxy-.beta.,2,5,5,8a-pentamethyl-, methyl ester, [1R-[1.alpha.(S*),2.beta.,4a.beta.,8a.al pha.]]-

View entire compound with spectra: 3 MS (GC)

1-Naphthalenepentanoic acid, decahydro-2-hydroxy-.beta.,2,5,5,8a-pentamethyl-, methyl ester, [1R-[1.alpha.(S*),2.beta.,4a.beta.,8a.al pha.]]-
SpectraBase Compound ID GYW6Rriju3T
InChI InChI=1S/C21H38O3/c1-15(14-18(22)24-6)8-9-17-20(4)12-7-11-19(2,3)16(20)10-13-21(17,5)23/h15-17,23H,7-14H2,1-6H3/t15?,16-,17+,20-,21-/m0/s1
InChIKey GOECIRGMYVJNBS-MTURHBOBSA-N
Mol Weight 338.5 g/mol
Molecular Formula C21H38O3
Exact Mass 338.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1SojQZb6Vn6
Name Methyl labdanolate
CAS Registry Number 10267-25-1
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 338.282095081 u
Formula C21H38O3
InChI InChI=1S/C21H38O3/c1-15(14-18(22)24-6)8-9-17-20(4)12-7-11-19(2,3)16(20)10-13-21(17,5)23/h15-17,23H,7-14H2,1-6H3/t15?,16-,17+,20-,21-/m0/s1
InChIKey GOECIRGMYVJNBS-MTURHBOBSA-N
Molecular Weight 338.532 g/mol
Number of Peaks 50
RI1 2386
SMILES O[C@@]1([C@@]([C@@]2([C@](C(C)(C)CCC2)(CC1)[H])C)(CCC(CC(=O)OC)C)[H])C
SPLASH splash10-052f-9600000000-3cbc86864f5ee35307a0
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 1-Naphtalenepentanoic acid, decahydro-2-hydroxy-beta,2,5,5,8a-pentamethyl-methyl ester
Wiley ID LM_FFNSC3_2096