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

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

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H36O2/c1-6-8-18-9-10-21(22(15-18)26-5)27-25-13-7-12-24(4,17-25)14-11-19-20(25)16-23(19,2)3/h6,9-10,15,19-20H,1,7-8,11-14,16-17H2,2-5H3/t19-,20+,24-,25+/m1/s1

InChIKey: InChIKey=NLPWXBDZKVHVAU-GRADPPADSA-N

Formula: C25H36O2

Molecular Weight: 368.553074

Exact Mass: 368.27153

NMR Solvent: T+A

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) 80.92
2 (CH) 40.81
3 (CH2) 36.36
4 (C) 34.91
5 (CH) 44.98
6 (CH2) 22.21
7 (CH2) 37.3
8 (C) 35.16
9 (CH2) 37.51
10 (CH2) 21.25
11 (CH2) 34.55
12 (CH2) 46.06
13 (CH3) 21.32
14 (CH3) 30.85
15 (CH3) 33.7
1a (C) 153.76
1b (C) 143.56
1c (CH) 113.79
1d (C) 134.4
1e (CH) 120.47
1f (CH) 143.56
1ba (CH3) 56.04
1da (CH2) 40.17
1db (CH) 137.77
1dc (CH2) 115.74