Methyl 7r-hydroperoxy-13r-hydroxyabiet-8(14)-enoate

Methyl 7r-hydroperoxy-13r-hydroxyabiet-8(14)-enoate

Common Name: Methyl 7r-hydroperoxy-13r-hydroxyabiet-8(14)-enoate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H34O4/c1-13(2)21(24)10-7-15-14(12-21)16(22)11-17-19(15,3)8-6-9-20(17,4)18(23)25-5/h12-13,15-17,22,24H,6-11H2,1-5H3/t15?,16-,17-,19-,20-,21+/m1/s1

InChIKey: InChIKey=GPYKEMWEYFUNGV-LJPLKKKVSA-N

Formula: C21H34O4

Molecular Weight: 350.493059

Exact Mass: 350.24571

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Prinz, S., Mullner, U., Heilmann, J., Winkelmann, K., Sticher, O., Haslinger, E., Hufner, A. J Nat Prod (2002) 65, 1530-4

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) 37.8
2 (CH2) 18
3 (CH2) 36.8
4 (C) 47
5 (CH) 42.1
6 (CH2) 31.9
7 (CH) 72.2
8 (C) 140.5
9 (CH) 45.6
10 (C) 38.3
11 (CH2) 18.1
12 (CH2) 31.9
13 (C) 72
14 (CH) 132.5
15 (CH) 35.7
16 (CH3) 16.6
17 (CH3) 16.9
18 (C) 179
19 (CH3) 16.7
20 (CH3) 14.4
18a (CH3) 52