Spektraris NMR
3-O-(2E,4Z-Decadienoyl)-20-deoxyingenol
Common Name: 3-O-(2E,4Z-Decadienoyl)-20-deoxyingenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O5/c1-7-8-9-10-11-12-13-14-23(31)35-27-19(3)17-29-20(4)16-22-24(28(22,5)6)21(26(29)33)15-18(2)25(32)30(27,29)34/h11-15,17,20-22,24-25,27,32,34H,7-10,16H2,1-6H3/b12-11-,14-13+/t20-,21+,22?,24+,25-,27+,29+,30+/m1/s1
InChIKey: InChIKey=JZIBSDBSLIKLEM-NUIJBVMPSA-N
Formula: C30H42O5
Molecular Weight: 482.652613
Exact Mass: 482.303224
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, L.Y., Wang, N.L., Yao, X.S., Miyata, S., Kitanaka, S. Chem Pharm Bull (2003) 51, 935-41
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) | 132.8 |
| 2 (C) | 135.8 |
| 3 (CH) | 83.4 |
| 4 (C) | 85.2 |
| 5 (CH) | 77.6 |
| 6 (C) | 137.6 |
| 7 (CH) | 124.3 |
| 8 (CH) | 43.6 |
| 9 (C) | 207.1 |
| 10 (C) | 72.2 |
| 11 (CH) | 39.1 |
| 12 (CH2) | 31.4 |
| 13 (CH) | 23.3 |
| 14 (CH) | 23.5 |
| 15 (C) | 24.2 |
| 16 (CH3) | 28.7 |
| 17 (CH3) | 15.7 |
| 18 (CH3) | 17.4 |
| 19 (CH3) | 15.8 |
| 20 (CH3) | 22.2 |
| 3a (C) | 168 |
| 3b (CH) | 120.1 |
| 3c (CH) | 141.5 |
| 3d (CH) | 126.4 |
| 3e (CH) | 143.3 |
| 3f (CH2) | 28.5 |
| 3g (CH2) | 29.2 |
| 3h (CH2) | 31.6 |
| 3i (CH2) | 22.5 |
| 3j (CH3) | 14.2 |
