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KTESLAVYKYMODC-GQIGUUNPSA-N
SpectraBase Compound ID AmA4oGhE8Sg
InChI InChI=1S/C20H30O2/c1-12(2)17-14(21)8-7-13-18(17)15(22)11-16-19(3,4)9-6-10-20(13,16)5/h7-8,12,15-16,21-22H,6,9-11H2,1-5H3/t15-,16+,20-/m1/s1
InChIKey KTESLAVYKYMODC-GQIGUUNPSA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KJXJdyeLOzd
Name Totarol <7-alpha-hydroxy-trans->
CAS Registry Number 6811-52-5
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 302.224580204 u
Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-12(2)17-14(21)8-7-13-18(17)15(22)11-16-19(3,4)9-6-10-20(13,16)5/h7-8,12,15-16,21-22H,6,9-11H2,1-5H3/t15-,16+,20-/m1/s1
InChIKey KTESLAVYKYMODC-GQIGUUNPSA-N
Molecular Weight 302.458 g/mol
Number of Peaks 50
RI1 2444
SMILES O[C@]1(c2c(ccc(c2C(C)C)O)[C@]2(CCCC([C@@]2(C1)[H])(C)C)C)[H]
SPLASH splash10-05r1-3970000000-c54f83625e6b6bd0f38d
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 2,10-Phenanthrenediol,4b,5,6,7,8,8a,9,10,octahydro-4b,8,8-trimethyl-1-(1-methylethyl)- (4bS,8aS,10R)
Wiley ID LM_FFNSC3_2968