(1R,2S,5R,8S)-4-(4,4,8-Trimethyltricyclo[6.3.1.02,5]dodec-1-yl)phenol

(1R,2S,5R,8S)-4-(4,4,8-Trimethyltricyclo[6.3.1.02,5]dodec-1-yl)phenol

Common Name: (1R,2S,5R,8S)-4-(4,4,8-Trimethyltricyclo[6.3.1.02,5]dodec-1-yl)phenol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H30O/c1-19(2)13-18-17(19)9-12-20(3)10-4-11-21(18,14-20)15-5-7-16(22)8-6-15/h5-8,17-18,22H,4,9-14H2,1-3H3/t17-,18+,20-,21-/m1/s1

InChIKey: InChIKey=XHNZPNPJWBRFHM-KOUHRCEDSA-N

Formula: C21H30O1

Molecular Weight: 298.463081

Exact Mass: 298.229666

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) 39.88
2 (CH) 40.72
3 (CH2) 39.15
4 (C) 34.28
5 (CH) 46.18
6 (CH2) 22.91
7 (CH2) 37.88
8 (C) 34.28
9 (CH2) 38.38
10 (CH2) 20.24
11 (CH2) 37.9
12 (CH2) 45.32
13 (CH3) 21.2
14 (CH3) 30.72
15 (CH3) 34.8
1a (C) 140.05
1b (CH) 126.88
1c (CH) 114.64
1d (C) 154.82
1e (CH) 114.64
1f (CH) 126.88