(2R)-2alpha,3beta,4alpha-Trihydroxy-6alpha-(1-methylene-5-methyl-4-hexenyl)-3-methylcyclohexanone

(2R)-2alpha,3beta,4alpha-Trihydroxy-6alpha-(1-methylene-5-methyl-4-hexenyl)-3-methylcyclohexanone

Common Name: (2R)-2alpha,3beta,4alpha-Trihydroxy-6alpha-(1-methylene-5-methyl-4-hexenyl)-3-methylcyclohexanone

Synonyms: (2R)-2alpha,3beta,4alpha-Trihydroxy-6alpha-(1-methylene-5-methyl-4-hexenyl)-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/h6,11-12,14,16,18-19H,3,5,7-8H2,1-2,4H3/t11-,12-,14+,15+/m1/s1

InChIKey: InChIKey=QDYJJDBZEHVSMQ-UXOAXIEHSA-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) 206.6
2 (CH) 80.8
3 (C) 79.3
4 (CH) 72.2
5 (CH2) 32.6
6 (CH) 51.4
7 (C) 144
8 (CH2) 34.8
9 (CH2) 26.3
10 (CH) 123.6
11 (C) 132.1
12 (CH3) 17.7
13 (CH3) 25.7
14 (CH2) 113.1
15 (CH3) 14