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trans-Totarol methyl ether
SpectraBase Compound ID 4ynEuiIs7Rc
InChI InChI=1S/C21H32O/c1-14(2)19-15-8-11-18-20(3,4)12-7-13-21(18,5)16(15)9-10-17(19)22-6/h9-10,14,18H,7-8,11-13H2,1-6H3/t18-,21+/m0/s1
InChIKey DORDKDUSCNWFPJ-GHTZIAJQSA-N
Mol Weight 300.5 g/mol
Molecular Formula C21H32O
Exact Mass 300.245316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9lG5WhOhK1Y
Name Podocarpa-8,11,13-triene <14-isopropyl-, 13-methoxy->
CAS Registry Number 15340-83-7
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 300.245315649 u
Formula C21H32O
InChI InChI=1S/C21H32O/c1-14(2)19-15-8-11-18-20(3,4)12-7-13-21(18,5)16(15)9-10-17(19)22-6/h9-10,14,18H,7-8,11-13H2,1-6H3/t18-,21+/m0/s1
InChIKey DORDKDUSCNWFPJ-GHTZIAJQSA-N
Molecular Weight 300.486 g/mol
Number of Peaks 50
RI1 2238
SMILES [C@]12([C@@](c3c(CC2)c(c(cc3)OC)C(C)C)(CCCC1(C)C)C)[H]
SPLASH splash10-052u-7940000000-0aedf034a9f5ab9fec9b
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 Phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-7-methoxy-1,1,4a-trimethyl-8-(1-methylethyl)-,
Wiley ID LM_FFNSC3_2287