(1S,2S,5R,8R)-2-Methyl-4-(1,4,4-trimethyltricyclo[6.3.1.02.5]dodec-8-yl)phenol

(1S,2S,5R,8R)-2-Methyl-4-(1,4,4-trimethyltricyclo[6.3.1.02.5]dodec-8-yl)phenol

Common Name: (1S,2S,5R,8R)-2-Methyl-4-(1,4,4-trimethyltricyclo[6.3.1.02.5]dodec-8-yl)phenol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H32O/c1-15-12-16(6-7-19(15)23)22-10-5-9-21(4,14-22)18-13-20(2,3)17(18)8-11-22/h6-7,12,17-18,23H,5,8-11,13-14H2,1-4H3/t17-,18+,21-,22+/m1/s1

InChIKey: InChIKey=LAVANLKZTSGXCZ-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) 32.41
2 (CH) 37.47
3 (CH2) 35.95
4 (C) 34.87
5 (CH) 44.92
6 (CH2) 21.84
7 (CH2) 37.67
8 (C) 40.12
9 (CH2) 37.28
10 (CH2) 19.75
11 (CH2) 37.58
12 (CH2) 46.67
13 (CH3) 21.06
14 (CH3) 30.88
15 (CH3) 27.69
8a (C) 146.1
8b (CH) 127.72
8c (C) 122.68
8d (C) 151.16
8e (CH) 114.27
8f (CH) 123.5
8ca (CH3) 16.19