(R,1S,3aR,4S,8aS,9R)-Decahydro-,4,8,8-tetramethyl-1,4-methanoazulene-9-methanol

(R,1S,3aR,4S,8aS,9R)-Decahydro-,4,8,8-tetramethyl-1,4-methanoazulene-9-methanol

Common Name: (R,1S,3aR,4S,8aS,9R)-Decahydro-,4,8,8-tetramethyl-1,4-methanoazulene-9-methanol

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-RZTQCUEVSA-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) 40.07
2 (CH) 65.04
3 (C) 44.84
4 (CH2) 36.37
5 (CH2) 21.37
6 (CH2) 39.11
7 (CH) 63.89
8 (CH3) 32.51
9 (C) 32.99
10 (CH3) 32.1
11 (CH3) 31.26
12 (CH) 68.18
13 (CH) 46.28
14 (CH2) 24.97
15 (CH2) 34.51
12a (CH3) 25.2