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(4R,8S,9R)-Isocaryolane-9,15-diol
SpectraBase Compound ID 2Dwgqyn01aK
InChI InChI=1S/C15H26O2/c1-14-6-5-13(17)10(7-14)3-4-11-12(14)8-15(11,2)9-16/h10-13,16-17H,3-9H2,1-2H3/t10-,11+,12-,13+,14-,15-/m0/s1
InChIKey WIEGDMLESKGJAJ-DEPYFDJDSA-N
Mol Weight 238.37 g/mol
Molecular Formula C15H26O2
Exact Mass 238.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K1trjvvhCd9
Name (4R,8S,9R)-Isocaryolane-9,15-diol
Appearance Amorphous solid
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Formula C15H26O2
InChI InChI=1S/C15H26O2/c1-14-6-5-13(17)10(7-14)3-4-11-12(14)8-15(11,2)9-16/h10-13,16-17H,3-9H2,1-2H3/t10-,11+,12-,13+,14-,15-/m0/s1
InChIKey WIEGDMLESKGJAJ-DEPYFDJDSA-N
Instrument Name Finnigan Voyager
Ionization Type EI
Literature Reference DOI 10.1021/np3009013
Molecular Weight 238.371 g/mol
Optical Rotation [a]D25 = +22 (c = 0.15, CHCl3)
Reported Formula C15H26O2
SMILES O[C@]1([C@@]2(C[C@@]([C@]3(C[C@@](CO)([C@@]3(CC2)[H])C)[H])(CC1)C)[H])[H]
SPLASH splash10-001i-9610000000-2d7434e6f94ef03ef883
Source of Spectrum G4-76-1022-8
Wiley ID 1865671