For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(2R,5S,8R,9R)-Isocaryolane-5,8,9-triol
SpectraBase Compound ID CgE7Hazp1mp
InChI InChI=1S/C15H26O3/c1-12(2)8-10-13(3)5-4-11(16)14(17,9-13)6-7-15(10,12)18/h10-11,16-18H,4-9H2,1-3H3/t10-,11-,13+,14-,15+/m1/s1
InChIKey PKSBUYLQJCALRI-NXRJPMIISA-N
Mol Weight 254.37 g/mol
Molecular Formula C15H26O3
Exact Mass 254.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8XHnyfYOqt2
Name (2R,5S,8R,9R)-Isocaryolane-5,8,9-triol
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26O3
InChI InChI=1S/C15H26O3/c1-12(2)8-10-13(3)5-4-11(16)14(17,9-13)6-7-15(10,12)18/h10-11,16-18H,4-9H2,1-3H3/t10-,11-,13+,14-,15+/m1/s1
InChIKey PKSBUYLQJCALRI-NXRJPMIISA-N
Instrument Name Finnigan Voyager
Ionization Type EI
Literature Reference DOI 10.1021/np1009465
Molecular Weight 254.370 g/mol
Optical Rotation [a]D25 = +4 (c = 0.2, CHCl3)
Reported Formula C15H26O3
SMILES O[C@@]1(CC[C@]2(C[C@@]1(CC[C@@]1([C@@]2(CC1(C)C)[H])O)O)C)[H]
SPLASH splash10-052r-3900000000-a0f80c5876e691c0e33a
Source of Spectrum G4-74-1711-10
Wiley ID 1849194