Spektraris NMR
3-O-(2'E,4'E-decadienoyl)-20-O-acetylingenol
Common Name: 3-O-(2'E,4'E-decadienoyl)-20-O-acetylingenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H44O7/c1-7-8-9-10-11-12-13-14-25(34)39-29-19(2)17-31-20(3)15-24-26(30(24,5)6)23(28(31)36)16-22(18-38-21(4)33)27(35)32(29,31)37/h11-14,16-17,20,23-24,26-27,29,35,37H,7-10,15,18H2,1-6H3/b12-11+,14-13+/t20-,23+,24-,26+,27-,29+,31+,32+/m1/s1
InChIKey: InChIKey=SYXKKJDQNXPUSI-HDJUQUQRSA-N
Formula: C32H44O7
Molecular Weight: 540.688776
Exact Mass: 540.308704
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) | 132.2 |
| 2 (C) | 136.1 |
| 3 (CH) | 82.8 |
| 4 (C) | 85 |
| 5 (CH) | 74.9 |
| 6 (C) | 136.1 |
| 7 (CH) | 129.3 |
| 8 (CH) | 43.9 |
| 9 (C) | 206.2 |
| 10 (C) | 72.1 |
| 11 (CH) | 38.8 |
| 12 (CH2) | 31.2 |
| 13 (CH) | 23.3 |
| 14 (CH) | 23.1 |
| 15 (C) | 24 |
| 16 (CH3) | 28.5 |
| 17 (CH3) | 15.5 |
| 18 (CH3) | 17.3 |
| 19 (CH3) | 15.6 |
| 20 (CH2) | 66.8 |
| 3a (C) | 167.8 |
| 3b (CH) | 117.9 |
| 3c (CH) | 146.3 |
| 3d (CH) | 128.1 |
| 3e (CH) | 146.9 |
| 3f (CH2) | 33 |
| 3g (CH2) | 28.3 |
| 3h (CH2) | 31.3 |
| 3i (CH2) | 22.5 |
| 3j (CH3) | 14 |
| 20a (C) | 171 |
| 20b (CH3) | 21.1 |
