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(4bS)-2-isopropyl-3-methoxy-4b,8,8-trimethyl-5,6,7,8,8a,9-hexahydrophenanthrene-1,4,10(4bH)-trione
SpectraBase Compound ID 6yoBRW2ZFjz
InChI InChI=1S/C21H28O4/c1-11(2)14-17(23)15-12(22)10-13-20(3,4)8-7-9-21(13,5)16(15)18(24)19(14)25-6/h11,13H,7-10H2,1-6H3/t13?,21-/m0/s1
InChIKey CFPFANOEFGAPMD-KCSFHACMSA-N
Mol Weight 344.45 g/mol
Molecular Formula C21H28O4
Exact Mass 344.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EBqt2o8hui0
Name (4bS)-2-isopropyl-3-methoxy-4b,8,8-trimethyl-5,6,7,8,8a,9-hexahydrophenanthrene-1,4,10(4bH)-trione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O4
InChI InChI=1S/C21H28O4/c1-11(2)14-17(23)15-12(22)10-13-20(3,4)8-7-9-21(13,5)16(15)18(24)19(14)25-6/h11,13H,7-10H2,1-6H3/t13?,21-/m0/s1
InChIKey CFPFANOEFGAPMD-KCSFHACMSA-N
Molecular Weight 344.451 g/mol
SMILES C1CC(C2[C@](C1)(C1=C(C(C2)=O)C(C(=C(C1=O)OC)C(C)C)=O)C)(C)C
SPLASH splash10-0fte-9656000000-aa3dcab5d210e6dabaef
Source of Spectrum Ahmed Kabouche, et al. Food Chemistry, V. 102, 2007, P.1281-1287
Synonyms 7-Oxoroyleanone-12-methyl ether
Wiley ID 1817479