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7-OXO-ABIETA-8,11,13-TRIENE
SpectraBase Compound ID 7HK4LpOKW6h
InChI InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20+/m0/s1
InChIKey ISHVJVXYPLFKAL-AZUAARDMSA-N
Mol Weight 284.44 g/mol
Molecular Formula C20H28O
Exact Mass 284.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1xoDBPYlOK
Name (4aS,10aS)-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
CAS Registry Number 26920-03-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O
InChI InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20+/m0/s1
InChIKey ISHVJVXYPLFKAL-AZUAARDMSA-N
Molecular Weight 284.443 g/mol
SMILES [C@]12(c3c(cc(cc3)C(C)C)C(C[C@]1(C(C)(C)CCC2)[H])=O)C
SPLASH splash10-014j-0190000000-d7d3c4d1d3d65a6ae7f7
Source of Spectrum H-66-787-0
Synonyms (4aS,10aS)-7-isopropyl-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one Abieta-8,11,13-trien-7-one
Wiley ID 1288554