Spektraris NMR
5-O-(2'E,4'E-Decadienoyl)ingenol
Common Name: 5-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(32)36-27-20(17-31)15-21-24-22(28(24,4)5)14-19(3)29(26(21)34)16-18(2)25(33)30(27,29)35/h10-13,15-16,19,21-22,24-25,27,31,33,35H,6-9,14,17H2,1-5H3/b11-10+,13-12+/t19-,21+,22-,24+,25+,27?,29+,30-/m1/s1
InChIKey: InChIKey=BMSQOSCSLGJQPZ-DQNQFWMZSA-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)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH) | 128.1 |
| 2 (C) | 139.5 |
| 3 (CH) | 79.4 |
| 4 (C) | 85.5 |
| 5 (CH) | 75.3 |
| 6 (C) | 138.5 |
| 7 (CH) | 129.3 |
| 8 (CH) | 44 |
| 9 (C) | 206.8 |
| 10 (C) | 73.9 |
| 11 (CH) | 38.5 |
| 12 (CH2) | 31.8 |
| 13 (CH) | 24 |
| 14 (CH) | 23.3 |
| 15 (C) | 23.7 |
| 16 (CH3) | 28.5 |
| 17 (CH3) | 15.6 |
| 18 (CH3) | 18.2 |
| 19 (CH3) | 15.5 |
| 20 (CH2) | 65.3 |
| 5a (C) | 167.4 |
| 5b (CH) | 117.3 |
| 5c (CH) | 147.7 |
| 5d (CH) | 126.8 |
| 5e (CH) | 143 |
| 5f (CH2) | 33.1 |
| 5g (CH2) | 28.3 |
| 5h (CH2) | 31.4 |
| 5i (CH2) | 22.5 |
| 5j (CH3) | 14 |
