(±)-(1R,2R,3S,7R,8S)-2-Hydroxy-4,8-dimethyltricyclo-[5.3.1]undec-4-en-11-one

(±)-(1R,2R,3S,7R,8S)-2-Hydroxy-4,8-dimethyltricyclo-[5.3.1]undec-4-en-11-one

Common Name: (±)-(1R,2R,3S,7R,8S)-2-Hydroxy-4,8-dimethyltricyclo-[5.3.1]undec-4-en-11-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C13H18O2/c1-7-3-4-9-11(14)8-5-6-13(9,2)10(7)12(8)15/h3,8-10,12,15H,4-6H2,1-2H3/t8-,9?,10-,12-,13-/m1/s1

InChIKey: InChIKey=HIAXKPZYQNQGNH-AKBFKNQKSA-N

Formula: C13H18O2

Molecular Weight: 206.28131

Exact Mass: 206.13068

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Kraft, P., Weymuth, C., Nussbaumer, C. Eur J Org Chem (2006) 0, 1403-12

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Patchoulanes; 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) 49.2
2 (C) 219.3
3 (CH) 47.9
4 (CH2) 26.5
5 (CH) 119.5
6 (C) 134.8
7 (CH) 53.4
8 (C) 33.5
9 (CH2) 30.5
10 (CH2) 16.7
11 (CH) 71.8
12 (CH3) 22.4
13 (CH3) 23