(1R,2S,5R,8S)-4-(4,4,8-Trimethyltricyclo[6.3.1.02,5]dodec-1-yl)benzene-1,3-diol

(1R,2S,5R,8S)-4-(4,4,8-Trimethyltricyclo[6.3.1.02,5]dodec-1-yl)benzene-1,3-diol

Common Name: (1R,2S,5R,8S)-4-(4,4,8-Trimethyltricyclo[6.3.1.02,5]dodec-1-yl)benzene-1,3-diol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H30O2/c1-19(2)12-18-17(19)5-8-20(3)6-4-7-21(18,13-20)14-9-15(22)11-16(23)10-14/h9-11,17-18,22-23H,4-8,12-13H2,1-3H3/t17-,18+,20-,21-/m1/s1

InChIKey: InChIKey=HWVYIZHFAJZCEW-KOUHRCEDSA-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) 40
2 (CH) 41.85
3 (CH2) 40.17
4 (C) 33.45
5 (CH) 46.75
6 (CH2) 23.88
7 (CH2) 39.17
8 (C) 34.53
9 (CH2) 38.32
10 (CH2) 20.44
11 (CH2) 36
12 (CH2) 45.76
13 (CH3) 21.38
14 (CH3) 30.66
15 (CH3) 35.48
1a (C) 126.53
1b (CH) 156.31
1c (C) 103.71
1d (CH) 155.53
1e (C) 106
1f (CH) 127.09