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

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

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H30O2/c1-19(2)12-16-15(19)7-10-20(3)8-4-9-21(16,13-20)14-5-6-17(22)18(23)11-14/h5-6,11,15-16,22-23H,4,7-10,12-13H2,1-3H3/t15-,16+,20-,21-/m1/s1

InChIKey: InChIKey=KBIALSAEPBWOLG-VAKZPMALSA-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) 39.94
2 (CH) 40.76
3 (CH2) 39.13
4 (C) 34.22
5 (CH) 46.17
6 (CH2) 22.95
7 (CH2) 37.94
8 (C) 34.3
9 (CH2) 38.37
10 (CH2) 20.24
11 (CH2) 37.83
12 (CH2) 45.27
13 (CH3) 21.22
14 (CH3) 30.71
15 (CH3) 34.81
1a (C) 141.45
1b (CH) 113.46
1c (C) 143.99
1d (C) 142.03
1e (CH) 114.24
1f (CH) 117.42