Spektraris NMR
Parvitexins A
Common Name: Parvitexins A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O6/c1-13-9-17(26-14(2)23)20-12-25-21(15-6-8-24-10-15)11-18(13,3)22(20,28-21)7-5-16-19(20,4)27-16/h6,8,10,13,16-17H,5,7,9,11-12H2,1-4H3/t13-,16+,17-,18+,19+,20-,21+,22+/m0/s1
InChIKey: InChIKey=NHMIIYWQLNCAIO-WNVHVKRCSA-N
Formula: C22H28O6
Molecular Weight: 388.45496
Exact Mass: 388.188589
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) | 25.6 |
| 2 (CH2) | 21.2 |
| 3 (CH) | 56.7 |
| 4 (C) | 62.2 |
| 5 (C) | 37.9 |
| 6 (CH) | 73.3 |
| 7 (CH2) | 34.8 |
| 8 (CH) | 33.1 |
| 9 (C) | 46.1 |
| 10 (C) | 85.3 |
| 11 (CH2) | 54.7 |
| 12 (C) | 101 |
| 13 (C) | 127.1 |
| 14 (CH) | 108.7 |
| 15 (CH) | 142.8 |
| 16 (CH) | 139.7 |
| 17 (CH3) | 18 |
| 18 (CH3) | 19.8 |
| 19 (CH2) | 62.9 |
| 20 (CH3) | 21.4 |
| 6a (C) | 170.2 |
| 6b (CH3) | 21.3 |
