(3E,5E)-2-Methoxy-6-[(1S)-3alpha-(1-methylethenyl)-4-methyl-4beta-ethenylcyclohexane-1alpha-yl]-2-methyl-3,5-heptadiene

(3E,5E)-2-Methoxy-6-[(1S)-3alpha-(1-methylethenyl)-4-methyl-4beta-ethenylcyclohexane-1alpha-yl]-2-methyl-3,5-heptadiene

Common Name: (3E,5E)-2-Methoxy-6-[(1S)-3alpha-(1-methylethenyl)-4-methyl-4beta-ethenylcyclohexane-1alpha-yl]-2-methyl-3,5-heptadiene

Synonyms: (3E,5E)-2-Methoxy-6-[(1S)-3alpha-(1-methylethenyl)-4-methyl-4beta-ethenylcyclohexane-1alpha-yl]-2-methyl-3,5-heptadiene

CAS Registry Number:

InChI: InChI=1S/C21H34O/c1-9-21(7)14-12-18(15-19(21)16(2)3)17(4)11-10-13-20(5,6)22-8/h9-11,13,18-19H,1-2,12,14-15H2,3-8H3/b13-10+,17-11+/t18-,19+,21-/m0/s1

InChIKey: InChIKey=NRZZJIIZNPJMNU-YFNOWTOJSA-N

Formula: C21H34O1

Molecular Weight: 302.494844

Exact Mass: 302.260966

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) 32.7
4 (CH) 47.7
5 (CH2) 26.6
6 (CH2) 39.9
7 (CH3) 16.6
8 (CH) 150.1
9 (CH2) 109.9
10 (C) 147.7
11 (CH2) 112.2
12 (CH3) 24.8
13 (C) 143.2
14 (CH3) 15.4
15 (CH) 122.6
16 (CH) 126
17 (CH) 136.8
18 (C) 75.1
19 (CH3) 26.1
20 (CH3) 26
18a (CH3) 50.5