Spektraris NMR
3-O-(2¥E,4¥Z)-Decadienoylingenol
Common Name: 3-O-(2¥E,4¥Z)-Decadienoylingenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O6/c1-6-7-8-9-10-11-12-13-23(32)36-27-18(2)16-29-19(3)14-22-24(28(22,4)5)21(26(29)34)15-20(17-31)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=XMXZQPNIMGCMHC-JFSCPWEMSA-N
Formula: C30H42O6
Molecular Weight: 498.652018
Exact Mass: 498.298139
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shi, J.X., Li, Z.X., Nitoda, T., Izumi, M., Kanzaki, H., Baba, N., Kawazu, K., Nakajima, S. Biosci Biotechnol Biochem (2007) 71, 1086-9
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 |
| 2 (C) | 135.9 |
| 3 (CH) | 82.6 |
| 4 (C) | 84.9 |
| 5 (CH) | 76.5 |
| 6 (C) | 139.3 |
| 7 (CH) | 128.2 |
| 8 (CH) | 43.5 |
| 9 (C) | 206.9 |
| 10 (C) | 71.9 |
| 11 (CH) | 38.4 |
| 12 (CH2) | 31.1 |
| 13 (CH) | 23 |
| 14 (CH) | 23.3 |
| 15 (C) | 24 |
| 16 (CH3) | 28.5 |
| 17 (CH3) | 15.5 |
| 18 (CH3) | 17.2 |
| 19 (CH3) | 15.5 |
| 20 (CH2) | 67.2 |
| 3a (C) | 167.9 |
| 3b (CH) | 120.2 |
| 3c (CH) | 141 |
| 3d (CH) | 126.2 |
| 3e (CH) | 142.8 |
| 3f (CH2) | 28.3 |
| 3g (CH2) | 31.4 |
| 3h (CH2) | 29 |
| 3i (CH2) | 22.4 |
| 3j (CH3) | 14 |
