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

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

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H30O2/c1-19(2)13-18-17(19)9-12-20(3)10-4-11-21(18,14-20)23-16-7-5-15(22)6-8-16/h5-8,17-18,22H,4,9-14H2,1-3H3/t17-,18+,20-,21+/m1/s1

InChIKey: InChIKey=DQHZBTVQAYEXPX-JYRKZWEQSA-N

Formula: C21H30O2

Molecular Weight: 314.462486

Exact Mass: 314.22458

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) 79.3
2 (CH) 40.65
3 (CH2) 36.39
4 (C) 34.97
5 (CH) 45.21
6 (CH2) 22.26
7 (CH2) 37.33
8 (C) 35.23
9 (CH2) 37.61
10 (CH2) 21.25
11 (CH2) 34.69
12 (CH2) 46.81
13 (CH3) 21.25
14 (CH3) 30.79
15 (CH3) 33.71
1a (C) 152.74
1b (CH) 115.24
1c (CH) 124.35
1d (C) 147.85
1e (CH) 124.35
1f (CH) 124.5