18-Norabieta-8,11,13-trien-4-yl hydroperoxide

18-Norabieta-8,11,13-trien-4-yl hydroperoxide

Common Name: 18-Norabieta-8,11,13-trien-4-yl hydroperoxide

Synonyms: 18-Norabieta-8,11,13-trien-4-yl hydroperoxide

CAS Registry Number:

InChI: InChI=1S/C19H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-18(16,3)10-5-11-19(17,4)21-20/h6,8,12-13,17,20H,5,7,9-11H2,1-4H3/t17-,18-,19-/m1/s1

InChIKey: InChIKey=SERPESJFVFFAKV-GUDVDZBRSA-N

Formula: C19H28O2

Molecular Weight: 288.425133

Exact Mass: 288.20893

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Lee, C.K., Fang, J.M., Cheng, Y.S. Phytochemistry (1995) 39, 391-4

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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 (CH2) 37.7
2 (CH2) 20
3 (CH2) 35.3
4 (C) 84.9
5 (CH) 45.4
6 (CH2) 17.9
7 (CH2) 30
8 (C) 134.8
9 (C) 146.3
10 (C) 38.3
11 (CH) 124.5
12 (CH) 123.9
13 (C) 145.7
14 (CH) 127
15 (CH) 33.5
16 (CH3) 23.9
17 (CH3) 23.9
19 (CH3) 24.7
20 (CH3) 18.2