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

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

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

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

CAS Registry Number:

InChI: InChI=1S/C20H32O/c1-13(2)15-8-10-19(4)12-17-14(3)6-7-18(21)20(17,5)11-9-16(15)19/h15-18,21H,1,3,6-12H2,2,4-5H3/t15-,16+,17-,18+,19-,20+/m1/s1

InChIKey: InChIKey=WBWAXKFVGXKKMW-FGSPNWDHSA-N

Formula: C20H32O1

Molecular Weight: 288.468227

Exact Mass: 288.245316

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) 150.3
2 (CH2) 35.6
3 (CH2) 32.2
4 (CH) 78
5 (C) 44.6
6 (CH2) 34.9
7 (CH2) 23
8 (CH) 48.2
9 (CH) 49.5
10 (CH2) 28.6
11 (CH2) 44.7
12 (C) 44.7
13 (CH2) 44.4
14 (CH) 46.9
15 (CH2) 107.7
16 (CH3) 9.4
17 (C) 147.7
18 (CH2) 111.9
19 (CH3) 24.4
20 (CH3) 19.1