Methyl-19 malonyxy-9-epi-ent-7,15 isopimaradiene

Methyl-19 malonyxy-9-epi-ent-7,15 isopimaradiene

Common Name: Methyl-19 malonyxy-9-epi-ent-7,15 isopimaradiene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H36O4/c1-6-22(2)13-10-18-17(15-22)8-9-19-23(3,11-7-12-24(18,19)4)16-28-21(26)14-20(25)27-5/h6,8,18-19H,1,7,9-16H2,2-5H3/t18-,19+,22+,23-,24-/m0/s1

InChIKey: InChIKey=BSVUKUJMZWCPJD-OWRMQYLZSA-N

Formula: C24H36O4

Molecular Weight: 388.541148

Exact Mass: 388.26136

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Chamy, M.C., Piovano, M., Garbarino, J.A., Amestica, M.P. Phytochemistry (1998) 49, 2595-7

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isopimaranes; 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) 36.5
2 (CH2) 18.3
3 (CH2) 36.5
4 (C) 36.5
5 (CH) 44.4
6 (CH2) 23.2
7 (CH) 119.1
8 (C) 137.1
9 (CH) 53
10 (C) 35
11 (CH2) 25.5
12 (CH2) 39.4
13 (C) 38.9
14 (CH2) 49.5
15 (CH) 145.7
16 (CH2) 111.3
17 (CH3) 29.7
18 (CH3) 27.2
19 (CH2) 68.3
20 (CH3) 23.2
19a (C) 167
19b (CH2) 41.5
19c (C) 166.5
19d (CH3) 53.3