4-Hydroperoxy-19-norabieta-8,11,13-trien-7-one

4-Hydroperoxy-19-norabieta-8,11,13-trien-7-one

Common Name: 4-Hydroperoxy-19-norabieta-8,11,13-trien-7-one

Synonyms: 4-Hydroperoxy-19-norabieta-8,11,13-trien-7-one

CAS Registry Number:

InChI: InChI=1S/C19H26O3/c1-12(2)13-6-7-15-14(10-13)16(20)11-17-18(15,3)8-5-9-19(17,4)22-21/h6-7,10,12,17,21H,5,8-9,11H2,1-4H3/t17-,18-,19+/m1/s1

InChIKey: InChIKey=TXROUTHBEADSBS-QRVBRYPASA-N

Formula: C19H26O3

Molecular Weight: 302.408656

Exact Mass: 302.188195

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) 37.4
2 (CH2) 17.9
3 (CH2) 34.3
4 (C) 83.1
5 (CH) 49.1
6 (CH2) 35.3
7 (C) 199.4
8 (C) 130.7
9 (C) 152.8
10 (C) 37.6
11 (CH) 123.7
12 (CH) 132.5
13 (C) 146.8
14 (CH) 125.1
15 (CH) 33.6
16 (CH3) 23.8
17 (CH3) 23.8
18 (CH3) 23.8
20 (CH3) 24.6