(1R,2S,5R,8S)-4,4,8-Trimethyl-1-(2-methylphenoxy)tricyclo[6.3.1.02,5]dodecane

(1R,2S,5R,8S)-4,4,8-Trimethyl-1-(2-methylphenoxy)tricyclo[6.3.1.02,5]dodecane

Common Name: (1R,2S,5R,8S)-4,4,8-Trimethyl-1-(2-methylphenoxy)tricyclo[6.3.1.02,5]dodecane

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H32O/c1-16-8-5-6-9-19(16)23-22-12-7-11-21(4,15-22)13-10-17-18(22)14-20(17,2)3/h5-6,8-9,17-18H,7,10-15H2,1-4H3/t17-,18+,21-,22+/m1/s1

InChIKey: InChIKey=PPLMIYGORLWREV-OSZJIOELSA-N

Formula: C22H32O1

Molecular Weight: 312.489699

Exact Mass: 312.245316

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) 80.4
2 (CH) 42.38
3 (CH2) 38.14
4 (C) 34.53
5 (CH) 45.77
6 (CH2) 22.91
7 (CH2) 38.06
8 (C) 34.77
9 (CH2) 36.66
10 (CH2) 20.9
11 (CH2) 35.38
12 (CH2) 47.76
13 (CH3) 21.08
14 (CH3) 30.52
15 (CH3) 33.66
1a (C) 154.12
1b (C) 129.94
1c (CH) 130.58
1d (CH) 120.87
1e (CH) 125.47
1f (CH) 119.78
1ba (CH3) 17.48