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(-)-(1R,6S,7S,10R)-1-Hydroxycadinan-3-en-5-one
SpectraBase Compound ID KvVbh0XseJt
InChI InChI=1S/C15H24O2/c1-9(2)12-6-5-11(4)15(17)8-7-10(3)14(16)13(12)15/h7,9,11-13,17H,5-6,8H2,1-4H3/t11-,12+,13-,15-/m1/s1
InChIKey DTKVUCPWKSABCL-QVHKTLOISA-N
Mol Weight 236.35 g/mol
Molecular Formula C15H24O2
Exact Mass 236.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EYBlDBjlebd
Name (-)-(1R,6S,7S,10R)-1-Hydroxycadinan-3-en-5-one
Appearance Colorless prisms
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Formula C15H24O2
InChI InChI=1S/C15H24O2/c1-9(2)12-6-5-11(4)15(17)8-7-10(3)14(16)13(12)15/h7,9,11-13,17H,5-6,8H2,1-4H3/t11-,12+,13-,15-/m1/s1
InChIKey DTKVUCPWKSABCL-QVHKTLOISA-N
Instrument Name Micromass Autospec-Ultima ETOF
Ionization Type EI
Literature Reference DOI 10.1021/np040099d
Molecular Weight 236.355 g/mol
Optical Rotation [a]D20 = -47 (c = 0.18, MeOH)
Reported Formula C15H24O2
SMILES O[C@@]12[C@@](CC[C@]([C@@]2(C(C(=CC1)C)=O)[H])(C(C)C)[H])(C)[H]
SPLASH splash10-004i-3910000000-7dcc9d9136d599e2155e
Source of Spectrum G4-67-1649-1
Wiley ID 1881549