(1R,2S,5R,8S)-1-(3,5-Dimethylphenoxy)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane

(1R,2S,5R,8S)-1-(3,5-Dimethylphenoxy)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane

Common Name: (1R,2S,5R,8S)-1-(3,5-Dimethylphenoxy)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C23H34O/c1-16-11-17(2)13-18(12-16)24-23-9-6-8-22(5,15-23)10-7-19-20(23)14-21(19,3)4/h11-13,19-20H,6-10,14-15H2,1-5H3/t19-,20+,22-,23+/m1/s1

InChIKey: InChIKey=YSPLTCFJCXTKAY-SKWRMQMOSA-N

Formula: C23H34O1

Molecular Weight: 326.516316

Exact Mass: 326.260966

NMR Solvent: T+C

MHz:

Calibration:

NMR references: 13C - Fomenko, V.V., Korchagina, D.V., Salakhutdinov, N.F., Barkhash, V.A. Helv Chim Acta (2001) 84, 3477-87

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Caryolanes; 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 (C) 79.64
2 (CH) 41.58
3 (CH2) 37.63
4 (C) 34.58
5 (CH) 45.4
6 (CH2) 22.56
7 (CH2) 37.68
8 (C) 34.8
9 (CH2) 36.81
10 (CH2) 20.89
11 (CH2) 35.14
12 (CH2) 47.34
13 (CH3) 21.09
14 (CH3) 30.5
15 (CH3) 33.49
1a (C) 155.49
1b (CH) 119.74
1c (C) 137.51
1d (CH) 123.26
1e (C) 137.51
1f (CH) 119.74
1ca (CH3) 21.48
1ea (CH3) 21.48