Spektraris NMR
Parvitexins B
Common Name: Parvitexins B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O5/c1-14-6-5-8-22-19(4)12-21(27-22,17-7-9-24-11-17)25-13-20(14,22)18(10-15(19)2)26-16(3)23/h6-7,9,11,15,18H,5,8,10,12-13H2,1-4H3/t15-,18-,19+,20+,21+,22+/m0/s1
InChIKey: InChIKey=FZQSAOXOUTXHTL-UGCMYUGTSA-N
Formula: C22H28O5
Molecular Weight: 372.455555
Exact Mass: 372.193674
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) | 26.2 |
| 2 (CH2) | 23.3 |
| 3 (CH) | 125.2 |
| 4 (C) | 136 |
| 5 (C) | 41.3 |
| 6 (CH) | 77.8 |
| 7 (CH2) | 34.2 |
| 8 (CH) | 33.6 |
| 9 (C) | 45.5 |
| 10 (C) | 85.3 |
| 11 (CH2) | 55.1 |
| 12 (C) | 101.7 |
| 13 (C) | 127.3 |
| 14 (CH) | 108.4 |
| 15 (CH) | 142.8 |
| 16 (CH) | 139.5 |
| 17 (CH3) | 18.4 |
| 18 (CH3) | 21 |
| 19 (CH2) | 63.3 |
| 20 (CH3) | 22.2 |
| 6a (C) | 170.2 |
| 6b (CH3) | 21 |
