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6-Oxo-Ferruginol
SpectraBase Compound ID 87VBTECx6IQ
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+/m0/s1
InChIKey BGVCOQAMEPLESK-AZUAARDMSA-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 In74jG90Ucb
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
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness)
GC Oven Program 60 °C to 246 °C at 3 °C/min.
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+/m0/s1
InChIKey BGVCOQAMEPLESK-AZUAARDMSA-N
Molecular Weight 300.442 g/mol
Nominal Mass 300 u
Number of Peaks 189
SMILES Oc1c(cc2c(c1)[C@@]1([C@@](C(C2)=O)(C(CCC1)(C)C)[H])C)C(C)C
SPLASH splash10-0frl-4982000000-31256fdad33f67348052
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA000592