(3aS)-3aalpha,4,5,6-Tetrahydro-1,4beta-dimethyl-7-(1-methyl-1-hydroxyethyl)azulene-2(3H)-one

(3aS)-3aalpha,4,5,6-Tetrahydro-1,4beta-dimethyl-7-(1-methyl-1-hydroxyethyl)azulene-2(3H)-one

Common Name: (3aS)-3aalpha,4,5,6-Tetrahydro-1,4beta-dimethyl-7-(1-methyl-1-hydroxyethyl)azulene-2(3H)-one

Synonyms: (3aS)-3aalpha,4,5,6-Tetrahydro-1,4beta-dimethyl-7-(1-methyl-1-hydroxyethyl)azulene-2(3H)-one

CAS Registry Number:

InChI: InChI=1S/C15H22O2/c1-9-5-6-11(15(3,4)17)7-13-10(2)14(16)8-12(9)13/h7,9,12,17H,5-6,8H2,1-4H3/t9-,12-/m0/s1

InChIKey: InChIKey=GPHOOPDBTHHJLD-CABZTGNLSA-N

Formula: C15H22O2

Molecular Weight: 234.334545

Exact Mass: 234.16198

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Rukachaisirikul, V., Naovanit, S.A., Taylor, W.C., Bubb, W.A., Dampawan, P. Phytochemistry (1998) 48, 197-200

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) 43.6
2 (CH2) 39.7
3 (C) 209.3
4 (C) 137.4
5 (C) 167.1
6 (CH) 118.2
7 (C) 160.4
8 (CH2) 26.5
9 (CH2) 35.1
10 (CH) 32.9
11 (C) 74.4
12 (CH3) 28.6
13 (CH3) 28.8
14 (CH3) 14.5
15 (CH3) 8.3