4,12,20-Trideoxyphorbol-13-(2,3-dimethyl)butyrate

4,12,20-Trideoxyphorbol-13-(2,3-dimethyl)butyrate

Common Name: 4,12,20-Trideoxyphorbol-13-(2,3-dimethyl)butyrate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H38O4/c1-13(2)17(6)23(28)30-25-12-16(5)26(29)19-11-15(4)21(27)18(19)9-14(3)10-20(26)22(25)24(25,7)8/h10-11,13,16-20,22,29H,9,12H2,1-8H3/t16-,17?,18+,19-,20+,22-,25+,26+/m1/s1

InChIKey: InChIKey=PMLLUMRKJYJEKN-CBJBOXHYSA-N

Formula: C26H38O4

Molecular Weight: 414.578502

Exact Mass: 414.27701

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Appendino, G., Belloro, E., Tron, G.C., Jakupovic, J., Ballero, M. J Nat Prod (1999) 62, 1399-404

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Tiglianes; 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 (CH) 161
2 (C) 138.3
3 (C) 203
4 (CH) 44.4
5 (CH2) 34
6 (C) 136.2
7 (CH) 126.8
8 (CH) 41.9
9 (C) 75.2
10 (CH) 53.9
11 (CH) 46.2
12 (CH2) 31.8
13 (C) 62.8
14 (CH) 32
15 (C) 22.5
16 (CH3) 15.2
17 (CH3) 22.9
18 (CH3) 19
19 (CH3) 10
20 (CH3) 25.2
13a (C) 178
13b (CH) 35.3
13c (CH) 30.5
13d (CH3) 20.7
13ba (CH3) 13.3
13ca (CH3) 19.1