Spektraris NMR
Isovouacapenol E
Common Name: Isovouacapenol E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H36O6/c1-22-25-15-18-38-28(25)20-27-26(22)19-29(40-31(36)24-13-8-5-9-14-24)34(37)32(2,16-10-17-33(27,34)3)21-39-30(35)23-11-6-4-7-12-23/h4-9,11-15,18,26-27,29,37H,1,10,16-17,19-21H2,2-3H3/t26-,27-,29+,32+,33+,34+/m0/s1
InChIKey: InChIKey=SCMZVYCEBFUYQW-JJHRHQKCSA-N
Formula: C34H36O6
Molecular Weight: 540.647317
Exact Mass: 540.251189
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ragasa, C.Y., Ganzon, J., Hofilena, J., Tamboong, B., Rideout, J.A. Chem Pharm Bull (2003) 51, 1208-10
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cassanes; 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 (CH2) | 34.2 |
| 2 (CH2) | 18 |
| 3 (CH2) | 31 |
| 4 (C) | 44.2 |
| 5 (C) | 76.2 |
| 6 (CH) | 72.2 |
| 7 (CH2) | 31.44 |
| 8 (CH) | 31.37 |
| 9 (CH) | 44.3 |
| 10 (C) | 41.4 |
| 11 (CH2) | 22.3 |
| 12 (C) | 151.9 |
| 13 (C) | 118.8 |
| 14 (C) | 141.7 |
| 15 (CH) | 106.3 |
| 16 (CH) | 141.5 |
| 17 (CH2) | 104.4 |
| 18 (CH3) | 21.2 |
| 19 (CH2) | 66.9 |
| 20 (CH3) | 16.8 |
| 6a (C) | 165.7 |
| 6b (C) | 130.3 |
| 6c (CH) | 129.7 |
| 6d (CH) | 128.7 |
| 6e (CH) | 133.4 |
| 6f (CH) | 128.7 |
| 6g (CH) | 129.7 |
| 19a (C) | 166.2 |
| 19b (C) | 129.9 |
| 19c (CH) | 129.5 |
| 19d (CH) | 128.3 |
| 19e (CH) | 132.8 |
| 19f (CH) | 128.3 |
| 19g (CH) | 129.5 |
