(αS,1S,3aR,4S,8aS,9S)-Decahydro-α,4,8,8-tetramethyl-1,4-methanoazulene-9-ethanol

(αS,1S,3aR,4S,8aS,9S)-Decahydro-α,4,8,8-tetramethyl-1,4-methanoazulene-9-ethanol

Common Name: (αS,1S,3aR,4S,8aS,9S)-Decahydro-α,4,8,8-tetramethyl-1,4-methanoazulene-9-ethanol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C16H28O/c1-10(17)13-11-6-7-12-14(11)15(2,3)8-5-9-16(12,13)4/h10-14,17H,5-9H2,1-4H3/t10-,11+,12-,13+,14-,16+/m1/s1

InChIKey: InChIKey=BXPVRUBHRVECPL-ZBXLYSBASA-N

Formula: C16H28O1

Molecular Weight: 236.39352

Exact Mass: 236.214016

NMR Solvent: C+C

MHz:

Calibration:

NMR references: 13C - Dimitrov, V., Rentsch, G.H., Linden, A., Hesse, M. Helv Chim Acta (2003) 86, 106-21

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Longifolanes; 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) 41.39
2 (CH) 55.18
3 (C) 40.39
4 (CH2) 44.79
5 (CH2) 21.58
6 (CH2) 40.1
7 (CH) 61.07
8 (CH3) 24.13
9 (C) 33.48
10 (CH3) 33.07
11 (CH3) 29.57
12 (CH) 66.45
13 (CH) 46.77
14 (CH2) 21.83
15 (CH2) 26.27
12a (CH3) 24.19