(3aS)-3,8beta-Dimethyl-3abeta-hydroxy-5alpha-isopropenyl-1,3a,4,5,6,7,8,8abeta-octahydroazulene-1-one

(3aS)-3,8beta-Dimethyl-3abeta-hydroxy-5alpha-isopropenyl-1,3a,4,5,6,7,8,8abeta-octahydroazulene-1-one

Common Name: (3aS)-3,8beta-Dimethyl-3abeta-hydroxy-5alpha-isopropenyl-1,3a,4,5,6,7,8,8abeta-octahydroazulene-1-one

Synonyms: (3aS)-3,8beta-Dimethyl-3abeta-hydroxy-5alpha-isopropenyl-1,3a,4,5,6,7,8,8abeta-octahydroazulene-1-one

CAS Registry Number:

InChI: InChI=1S/C15H22O2/c1-9(2)12-6-5-10(3)14-13(16)7-11(4)15(14,17)8-12/h7,10,12,14,17H,1,5-6,8H2,2-4H3/t10-,12-,14-,15-/m1/s1

InChIKey: InChIKey=XBNHGYFVAHUWBF-PZTHBURQSA-N

Formula: C15H22O2

Molecular Weight: 234.334545

Exact Mass: 234.16198

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Sutthivaiyakit, S., Mongkolvisut, W., Prabpai, S., Kongsaeree, P. J Nat Prod (2009) 72, 2024-7

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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 (CH) 67.2
2 (C) 205.8
3 (CH) 128.7
4 (C) 177.6
5 (C) 82.5
6 (CH2) 40.7
7 (CH) 41.1
8 (CH2) 36.3
9 (CH2) 35.2
10 (CH) 34.3
11 (C) 150.8
12 (CH3) 20.6
13 (CH2) 109.1
14 (CH3) 23.8
15 (CH3) 12.8