Common Name: 20-O-(2'E,4'E-Decadienoyl)ingenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O6/c1-6-7-8-9-10-11-12-13-23(31)36-17-20-15-21-24-22(28(24,4)5)14-19(3)29(27(21)34)16-18(2)25(32)30(29,35)26(20)33/h10-13,15-16,19,21-22,24-26,32-33,35H,6-9,14,17H2,1-5H3/b11-10+,13-12+/t19-,21+,22-,24+,25+,26-,29+,30-/m1/s1
InChIKey: InChIKey=PDJLXCBLDTYKBP-SNWHNAKTSA-N
Formula: C30H42O6
Molecular Weight: 498.652018
Exact Mass: 498.298139
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, L.Y., Wang, N.L., Yao, X.S., Miyata, S., Kitanaka, S. J Nat Prod (2002) 65, 1246-51
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Ingenanes; 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)
Position | PPM |
---|---|
1 (CH) | 129.9 |
2 (C) | 138.8 |
3 (CH) | 80.6 |
4 (C) | 84.4 |
5 (CH) | 73.8 |
6 (C) | 136.8 |
7 (CH) | 128.4 |
8 (CH) | 44.1 |
9 (C) | 206.7 |
10 (C) | 72.5 |
11 (CH) | 39.7 |
12 (CH2) | 31 |
13 (CH) | 23.1 |
14 (CH) | 23 |
15 (C) | 23.9 |
16 (CH3) | 28.5 |
17 (CH3) | 15.4 |
18 (CH3) | 17.4 |
19 (CH3) | 15.3 |
20 (CH2) | 66.3 |
20a (C) | 167.4 |
20b (CH) | 118.6 |
20c (CH) | 145.8 |
20d (CH) | 128.2 |
20e (CH) | 145.4 |
20f (CH2) | 32.9 |
20g (CH2) | 28.4 |
20h (CH2) | 31.3 |
20i (CH2) | 22.5 |
20j (CH3) | 14 |