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(1S,4R,5R,8S,9S)-clovane-5,9,12-triol
SpectraBase Compound ID D4wR3qRGiBs
InChI InChI=1S/C15H26O3/c1-13(2)7-12(18)15-6-4-11(17)14(8-15,9-16)5-3-10(13)15/h10-12,16-18H,3-9H2,1-2H3/t10-,11+,12-,14+,15-/m0/s1
InChIKey JPTKHPFZGJJGML-OEMOEHNSSA-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 Bz80FFTfq7b
Name (1S,4R,5R,8S,9S)-Clovane-5,9,12-triol
Appearance Colorless, crystalline solid
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Formula C15H26O3
InChI InChI=1S/C15H26O3/c1-13(2)7-12(18)15-6-4-11(17)14(8-15,9-16)5-3-10(13)15/h10-12,16-18H,3-9H2,1-2H3/t10-,11+,12-,14+,15-/m0/s1
InChIKey JPTKHPFZGJJGML-OEMOEHNSSA-N
Instrument Name JEOL JMS-600H
Ionization Type EI
Literature Reference DOI 10.1021/np0680174
Molecular Weight 254.370 g/mol
Optical Rotation [a]D25 = -54 (c = 0.6, MeOH)
Reported Formula C15H26O3
SMILES O[C@@]1([C@@]23[C@@](CC[C@](CO)(C3)[C@@](CC2)(O)[H])(C(C1)(C)C)[H])[H]
SPLASH splash10-0006-0930000000-2bfb9e33f8dd2c455a80
Source of Spectrum G4-69-1433-10
Wiley ID 1873968