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(+)-(1R,3R,4R,5R,6S,9R)-3-Acetyl-1,4-dihydroxy-6-isopropyl-9-methylbicyclo[4.3.0]nonane

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(+)-(1R,3R,4R,5R,6S,9R)-3-Acetyl-1,4-dihydroxy-6-isopropyl-9-methylbicyclo[4.3.0]nonane
SpectraBase Compound ID 1bizHN28bEE
InChI InChI=1S/C15H26O3/c1-8(2)11-6-5-9(3)15(18)7-12(10(4)16)14(17)13(11)15/h8-9,11-14,17-18H,5-7H2,1-4H3/t9-,11+,12+,13-,14+,15-/m1/s1
InChIKey XPEOIYWRHYTKDP-OJVJDFQCSA-N
Mol Weight 254.37 g/mol
Molecular Formula C15H26O3
Exact Mass 254.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A1bpH4hZl8L
Name (+)-(1R,3R,4R,5R,6S,9R)-3-Acetyl-1,4-dihydroxy-6-isopropyl-9-methylbicyclo[4.3.0]nonane
Appearance Colorless gum
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Formula C15H26O3
InChI InChI=1S/C15H26O3/c1-8(2)11-6-5-9(3)15(18)7-12(10(4)16)14(17)13(11)15/h8-9,11-14,17-18H,5-7H2,1-4H3/t9-,11+,12+,13-,14+,15-/m1/s1
InChIKey XPEOIYWRHYTKDP-OJVJDFQCSA-N
Instrument Name Micromass Autospec-Ultima ETOF
Ionization Type EI Positive ion
Literature Reference DOI 10.1021/np060076u
Molecular Weight 254.370 g/mol
Optical Rotation [a]D20 = +55 (c = 0.40, MeOH)
Reported Formula C15H26O3
SMILES O[C@@]1([C@]2([C@@](CC[C@]([C@@]2(C[C@]1(C(=O)C)[H])O)(C)[H])(C(C)C)[H])[H])[H]
SPLASH splash10-0006-4930000000-9fe5d5f3a7f2aff7e11f
Source of Spectrum G4-69-SM10-3
Wiley ID 1874302