Spektraris NMR

Common Name: (1S,2R,6S)-1-Methyl-4-isopropyl-3-cyclohexene-1alpha,2alpha,6alpha-triol

Synonyms: (1S,2R,6S)-1-Methyl-4-isopropyl-3-cyclohexene-1alpha,2alpha,6alpha-triol

CAS Registry Number:

InChI: InChI=1S/C10H18O3/c1-6(2)7-4-8(11)10(3,13)9(12)5-7/h4,6,8-9,11-13H,5H2,1-3H3/t8-,9+,10-/m1/s1

InChIKey: InChIKey=RMGKQNBOGFMCHX-KXUCPTDWSA-N

Formula: C10H18O3

Molecular Weight: 186.248507

Exact Mass: 186.125594

NMR Solvent: p

MHz:

Calibration:

NMR references: 13C - Ahmed, A.A., El-Moghazy, S.A., El-Shanawany, M.A., Abdel-Ghani, H.F., Karchesy, J., Sturtz, G., Dalley, K., Pare, P.W. J Nat Prod (2004) 67, 1705-10

Species:

Notes: Family : Terpenoids, Type : Monoterpenoids, Group : p-Menthanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)