(1S,4abeta,10aalpha)-1beta-Isopropenyl-3abeta,5,8aalpha-trimethyltetradecahydrobenzo[f]azulene-5alpha,8alpha-diol

(1S,4abeta,10aalpha)-1beta-Isopropenyl-3abeta,5,8aalpha-trimethyltetradecahydrobenzo[f]azulene-5alpha,8alpha-diol

Common Name: (1S,4abeta,10aalpha)-1beta-Isopropenyl-3abeta,5,8aalpha-trimethyltetradecahydrobenzo[f]azulene-5alpha,8alpha-diol

Synonyms: (1S,4abeta,10aalpha)-1beta-Isopropenyl-3abeta,5,8aalpha-trimethyltetradecahydrobenzo[f]azulene-5alpha,8alpha-diol

CAS Registry Number:

InChI: InChI=1S/C20H34O2/c1-13(2)14-6-9-18(3)12-16-19(4,10-7-15(14)18)17(21)8-11-20(16,5)22/h14-17,21-22H,1,6-12H2,2-5H3/t14-,15+,16+,17+,18-,19+,20-/m1/s1

InChIKey: InChIKey=QLUDHIWOXIXFCY-OSIAAWHGSA-N

Formula: C20H34O2

Molecular Weight: 306.483513

Exact Mass: 306.25588

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ioannou, E., Quesada, A., Vagias, C., Roussis, V. Tetrahedron (2008) 64, 3975_79

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Dolastanes; 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) 72.9
2 (CH2) 39.9
3 (CH2) 26.6
4 (CH) 78.5
5 (C) 42.9
6 (CH2) 36.5
7 (CH2) 22.9
8 (CH) 48.1
9 (CH) 49.4
10 (CH2) 28.5
11 (CH2) 44.6
12 (C) 44.5
13 (CH2) 40.3
14 (CH) 50.7
15 (CH3) 31.4
16 (CH3) 11.5
17 (C) 147.8
18 (CH2) 111.8
19 (CH3) 24.4
20 (CH3) 19