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(4-R,8-R,9-R)-ISOCARYOLAN-8,9,15-TRIOL
SpectraBase Compound ID BhQJWdvUx7S
InChI InChI=1S/C15H26O3/c1-13-5-4-12(17)15(18,8-13)6-3-10-11(13)7-14(10,2)9-16/h10-12,16-18H,3-9H2,1-2H3/t10-,11+,12-,13+,14+,15-/m1/s1
InChIKey VMVKEYTXBMWYNB-BYGOPZEFSA-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 3GUCkJT3JVw
Name (4R,8R,9R)-Isocaryolane-8,9,15-triol
Appearance Yellow oil
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Formula C15H26O3
InChI InChI=1S/C15H26O3/c1-13-5-4-12(17)15(18,8-13)6-3-10-11(13)7-14(10,2)9-16/h10-12,16-18H,3-9H2,1-2H3/t10-,11+,12-,13+,14+,15-/m1/s1
InChIKey VMVKEYTXBMWYNB-BYGOPZEFSA-N
Instrument Name Finnigan Voyager
Ionization Type EI
Literature Reference DOI 10.1021/np1009465
Molecular Weight 254.370 g/mol
Optical Rotation [a]D25 = -6 (c = 0.33, CHCl3)
Reported Formula C15H26O3
SMILES O[C@@]1(CC[C@]2(C[C@@]1(CC[C@@]1([C@@]2(C[C@]1(CO)C)[H])[H])O)C)[H]
SPLASH splash10-054k-2900000000-035d6c4570cc2e2042c3
Source of Spectrum G4-74-1711-7
Wiley ID 1849197