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Totarol acetate <trans->
SpectraBase Compound ID HquvnIyh1X2
InChI InChI=1S/C22H32O2/c1-14(2)20-16-8-11-19-21(4,5)12-7-13-22(19,6)17(16)9-10-18(20)24-15(3)23/h9-10,14,19H,7-8,11-13H2,1-6H3
InChIKey ORVBSFQTFRBNRP-UHFFFAOYSA-N
Mol Weight 328.5 g/mol
Molecular Formula C22H32O2
Exact Mass 328.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LaGXggAKg6S
Name Totarol acetate
CAS Registry Number 15340-82-6
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 328.240230268 u
Formula C22H32O2
InChI InChI=1S/C22H32O2/c1-14(2)20-16-8-11-19-21(4,5)12-7-13-22(19,6)17(16)9-10-18(20)24-15(3)23/h9-10,14,19H,7-8,11-13H2,1-6H3
InChIKey ORVBSFQTFRBNRP-UHFFFAOYSA-N
Molecular Weight 328.496 g/mol
Number of Peaks 50
RI1 2427
SMILES CC(C)c1c(ccc2c1CCC1C(C)(C)CCCC21C)OC(C)=O
SPLASH splash10-00du-6980000000-5d99df4a241ef6b52fe8
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-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethtyl)-, acetate
Wiley ID LM_FFNSC3_2279