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6-Oxo-Ferruginol
SpectraBase Compound ID F7VHUQQlZaC
InChI InChI=1S/C20H28O2/c1-12(2)14-9-13-10-17(22)18-19(3,4)7-6-8-20(18,5)15(13)11-16(14)21/h9,11-12,18,21H,6-8,10H2,1-5H3/t18?,20-/m1/s1
InChIKey BGVCOQAMEPLESK-ROPPNANJSA-N
Mol Weight 300.44 g/mol
Molecular Formula C20H28O2
Exact Mass 300.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Al7Y6T04uaa
Name Ferruginol <6-, keto->
CAS Registry Number 70614-89-0
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 300.208930140 u
Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-12(2)14-9-13-10-17(22)18-19(3,4)7-6-8-20(18,5)15(13)11-16(14)21/h9,11-12,18,21H,6-8,10H2,1-5H3/t18?,20-/m1/s1
InChIKey BGVCOQAMEPLESK-ROPPNANJSA-N
Molecular Weight 300.442 g/mol
Number of Peaks 50
RI1 2454
SMILES Oc1c(cc2c([C@]3(CCCC(C3C(C2)=O)(C)C)C)c1)C(C)C
SPLASH splash10-0frl-4792000000-7f5e55e56ae8ebff7a8e
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 9(5H)-Phenanthrenone, 4b,6,7,8,8a,10-hexahydro-3-hydroxy-4b,8,8-trimethyl-2-(1-methylethyl)-
Wiley ID LM_FFNSC3_2491