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Cyclohept[e]inden-3(2H)-one, 1,3a,4,5,5a,6,7,8,10a,10b-decahydro-7-hydroxy-3a,5,9-trimethyl-1-(1-methylethyl)-, [1S-(1.alpha.,3a.beta.,5a.alpha.,7.beta.,10a.beta.,10b.alpha.)]-
SpectraBase Compound ID Jn8drvYjgZu
InChI InChI=1S/C20H32O2/c1-12(2)15-10-17(22)20(5)7-6-19(4)11-14(21)8-13(3)9-16(19)18(15)20/h9,12,14-16,18,21H,6-8,10-11H2,1-5H3/t14-,15+,16+,18+,19-,20-/m1/s1
InChIKey VEVLQKIXHINSTH-ZHAUUAPESA-N
Mol Weight 304.5 g/mol
Molecular Formula C20H32O2
Exact Mass 304.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BWDaqpArWcn
Name Cyclohept[e]inden-3(2H)-one, 1,3a,4,5,5a,6,7,8,10a,10b-decahydro-7-hydroxy-3a,5,9-trimethyl-1-(1-methylethyl)-, [1S-(1.alpha.,3a.beta.,5a.alpha.,7.beta.,10a.beta.,10b.alpha.)]-
CAS Registry Number 68420-57-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O2
InChI InChI=1S/C20H32O2/c1-12(2)15-10-17(22)20(5)7-6-19(4)11-14(21)8-13(3)9-16(19)18(15)20/h9,12,14-16,18,21H,6-8,10-11H2,1-5H3/t14-,15+,16+,18+,19-,20-/m1/s1
InChIKey VEVLQKIXHINSTH-ZHAUUAPESA-N
Molecular Weight 304.474 g/mol
SMILES O[C@]1(C[C@@]2([C@]([C@]3([C@@](C(=O)C[C@]3(C(C)C)[H])(CC2)C)[H])(C=C(C1)C)[H])C)[H]
SPLASH splash10-052o-9060000000-9bab4e49897a29ad63b5
Source of Spectrum KC-1979-2717-0
Synonyms (1S,3aS,5aR,7R,10aS,10bS)-7-hydroxy-1-isopropyl-3a,5a,9-trimethyl-1,3a,4,5,5a,6,7,8,10a,10b-decahydrocyclohepta[e]inden-3(2H)-one 6.beta.-hydroxy-4,8.alpha.,11.beta.-trimethyl-14.alpha.-isopropyltricyclo[9.3.0.0(2,8)]tetradec-3-en-12-one
Wiley ID 1306855