(2R)-2alpha,3beta,4alpha-Trihydroxy-6alpha-(1,5-dimethyl-4-hexenylidene)-3-methylcyclohexanone

(2R)-2alpha,3beta,4alpha-Trihydroxy-6alpha-(1,5-dimethyl-4-hexenylidene)-3-methylcyclohexanone

Common Name: (2R)-2alpha,3beta,4alpha-Trihydroxy-6alpha-(1,5-dimethyl-4-hexenylidene)-3-methylcyclohexanone

Synonyms: (2R)-2alpha,3beta,4alpha-Trihydroxy-6alpha-(1,5-dimethyl-4-hexenylidene)-3-methylcyclohexanone

CAS Registry Number:

InChI: InChI=1S/C15H24O4/c1-9(2)6-5-7-10(3)11-8-12(16)15(4,19)14(18)13(11)17/h6,12,14,16,18-19H,5,7-8H2,1-4H3/b11-10+/t12-,14+,15+/m1/s1

InChIKey: InChIKey=NLHKOAOSUWNDDM-NRIAAUITSA-N

Formula: C15H24O4

Molecular Weight: 268.349236

Exact Mass: 268.167459

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Stierle, A.A., Stierle, D.B., Kemp, K. J Nat Prod (2004) 67, 1392-5

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bisabolanes; 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)

Carbon NMR Peaks

Position PPM
1 (C) 200
2 (CH) 81.3
3 (C) 76.9
4 (CH) 71.7
5 (CH2) 32
6 (C) 125.5
7 (C) 152.5
8 (CH2) 36.3
9 (CH2) 25.9
10 (CH) 122.7
11 (C) 133
12 (CH3) 17.7
13 (CH3) 25.7
14 (CH3) 21.4
15 (CH3) 14