Common Name: 2a,9b-Dihydroxy-3b,8b-oxido-1(15)-trinervitene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-11-5-7-13-12(2)16-14-9-10-19(16,3)18(17(13)22)23-20(14,4)15(21)8-6-11/h11,14-18,21-22H,5-10H2,1-4H3/t11-,14-,15+,16-,17+,18-,19+,20-/m1/s1
InChIKey: InChIKey=ZKSRMNKTEQEGRN-IKQUXGDSSA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Laurent, P., Daloze, D., Pasteels, J.M., Braekman, J.C. J Nat Prod (2005) 68, 532-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Trinervitanes; 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)
Position | PPM |
---|---|
1 (C) | 131 |
2 (CH) | 74.7 |
3 (CH) | 83.5 |
4 (C) | 36.5 |
5 (CH2) | 36.2 |
6 (CH2) | 26.2 |
7 (CH) | 41.9 |
8 (C) | 78.7 |
9 (CH) | 71.8 |
10 (CH2) | 33.9 |
11 (CH2) | 34.9 |
12 (CH) | 37.1 |
13 (CH2) | 36.7 |
14 (CH2) | 29.6 |
15 (C) | 133.9 |
16 (CH) | 52.9 |
17 (CH3) | 19.7 |
18 (CH3) | 23.1 |
19 (CH3) | 20.3 |
20 (CH3) | 27.6 |