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1H-Dibenzo[a,d]cycloheptene-6,7-dione, 2,3,5,10,11,11a-hexahydro-1,1-dimethyl-8-(1-methylethyl)-, (S)-
SpectraBase Compound ID Kh0qRaZSjbz
InChI InChI=1S/C20H26O2/c1-12(2)15-10-13-7-8-17-14(6-5-9-20(17,3)4)11-16(13)19(22)18(15)21/h6,10,12,17H,5,7-9,11H2,1-4H3/t17-/m1/s1
InChIKey FSRVLCXFRSBJGH-QGZVFWFLSA-N
Mol Weight 298.43 g/mol
Molecular Formula C20H26O2
Exact Mass 298.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BLuXOSyWq71
Name 1H-Dibenzo[a,d]cycloheptene-6,7-dione, 2,3,5,10,11,11a-hexahydro-1,1-dimethyl-8-(1-methylethyl)-, (S)-
CAS Registry Number 88515-80-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O2
InChI InChI=1S/C20H26O2/c1-12(2)15-10-13-7-8-17-14(6-5-9-20(17,3)4)11-16(13)19(22)18(15)21/h6,10,12,17H,5,7-9,11H2,1-4H3/t17-/m1/s1
InChIKey FSRVLCXFRSBJGH-QGZVFWFLSA-N
Molecular Weight 298.426 g/mol
SMILES C1=2C(C(=O)C(=CC2CC[C@@]2(C(C1)=CCCC2(C)C)[H])C(C)C)=O
SPLASH splash10-0006-7490000000-4c96d09d62ece9928aa4
Source of Spectrum F-39-3606-0
Synonyms (11aS)-8-isopropyl-1,1-dimethyl-2,3,5,10,11,11a-hexahydro-1H-dibenzo[a,d]cycloheptene-6,7-dione O-quinone derivative of barbatusol
Wiley ID 1301496