2a,9b-Dihydroxy-3b,8b-oxido-1(15)-trinervitene

2a,9b-Dihydroxy-3b,8b-oxido-1(15)-trinervitene

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)

Carbon NMR Peaks

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