Spektraris NMR
Parvitexins E
Common Name: Parvitexins E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O6/c1-13-9-18(25)22(12-27-14(2)23)17(5-6-19-21(22,4)28-19)20(13,3)10-16(24)15-7-8-26-11-15/h7-8,11,13,17-19,25H,5-6,9-10,12H2,1-4H3/t13-,17-,18-,19+,20+,21+,22-/m0/s1
InChIKey: InChIKey=VBEPKLODQJEUBJ-CVBDIMQFSA-N
Formula: C22H30O6
Molecular Weight: 390.470842
Exact Mass: 390.204239
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Katayama, K., Shimazaki, K., Tazaki, H., Hasa, Y., Miyoshi, M., Koshino, H., Furuki, T., Naβ, K. Biosci Biotechnol Biochem (2007) 71, 2751-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 16.8 |
| 2 (CH2) | 22.1 |
| 3 (CH) | 61.2 |
| 4 (C) | 59.6 |
| 5 (C) | 44 |
| 6 (CH) | 73.3 |
| 7 (CH2) | 36 |
| 8 (CH) | 36.2 |
| 9 (C) | 41.3 |
| 10 (CH) | 37.1 |
| 11 (CH2) | 46.2 |
| 12 (C) | 193.8 |
| 13 (C) | 128.9 |
| 14 (CH) | 108.6 |
| 15 (CH) | 144.2 |
| 16 (CH) | 146.6 |
| 17 (CH3) | 16 |
| 18 (CH3) | 23.3 |
| 19 (CH2) | 66.3 |
| 20 (CH3) | 18.3 |
| 19a (C) | 171.8 |
| 19b (CH3) | 21.2 |
