(3R,5E)-6-[(1S,3R,4R)-4-Methyl-4-vinyl-3-(1-methylvinyl)cyclohexyl]-2-methyl-5-heptene-2,3-diol

(3R,5E)-6-[(1S,3R,4R)-4-Methyl-4-vinyl-3-(1-methylvinyl)cyclohexyl]-2-methyl-5-heptene-2,3-diol

Common Name: (3R,5E)-6-[(1S,3R,4R)-4-Methyl-4-vinyl-3-(1-methylvinyl)cyclohexyl]-2-methyl-5-heptene-2,3-diol

Synonyms: (3R,5E)-6-[(1S,3R,4R)-4-Methyl-4-vinyl-3-(1-methylvinyl)cyclohexyl]-2-methyl-5-heptene-2,3-diol

CAS Registry Number:

InChI: InChI=1S/C20H34O2/c1-8-20(7)12-11-16(13-17(20)14(2)3)15(4)9-10-18(21)19(5,6)22/h8-9,16-18,21-22H,1-2,10-13H2,3-7H3/b15-9+/t16-,17+,18+,20-/m0/s1

InChIKey: InChIKey=CFHHZCDUEIUCET-JZXJGBJOSA-N

Formula: C20H34O2

Molecular Weight: 306.483513

Exact Mass: 306.25588

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Edrada, R.A., Proksch, P., Wray, V., Witte, L., van Ofwegen, L. J Nat Prod (1998) 61, 358-61

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Lobanes; 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) 39.8
2 (CH) 52.8
3 (CH2) 33
4 (CH) 47.7
5 (CH2) 26.8
6 (CH2) 39.9
7 (CH3) 16.7
8 (CH) 150.3
9 (CH2) 112.1
10 (C) 147.7
11 (CH2) 109.9
12 (CH3) 24.8
13 (C) 143.8
14 (CH3) 23.7
15 (CH) 118.9
16 (CH2) 30.4
17 (CH) 77.9
18 (C) 72.7
19 (CH3) 26.2
20 (CH3) 26.2