Spektraris NMR
Parvitexins D
Common Name: Parvitexins D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O7/c1-14-10-21(30-16(3)26)24(13-29-15(2)25)19(6-7-20-23(24,5)31-20)22(14,4)11-18(27)17-8-9-28-12-17/h8-9,12,14,19-21H,6-7,10-11,13H2,1-5H3/t14-,19-,20+,21-,22+,23+,24-/m0/s1
InChIKey: InChIKey=ASVFDHDPXRPRIR-BRBGRGCOSA-N
Formula: C24H32O7
Molecular Weight: 432.5076
Exact Mass: 432.214803
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) | 16.9 |
| 2 (CH2) | 22.2 |
| 3 (CH) | 61.2 |
| 4 (C) | 59.1 |
| 5 (C) | 43.3 |
| 6 (CH) | 73.2 |
| 7 (CH2) | 33.3 |
| 8 (CH) | 35.7 |
| 9 (C) | 41.2 |
| 10 (CH) | 37.2 |
| 11 (CH2) | 46.5 |
| 12 (C) | 193.5 |
| 13 (C) | 129 |
| 14 (CH) | 108.6 |
| 15 (CH) | 144.2 |
| 16 (CH) | 146.6 |
| 17 (CH3) | 16 |
| 18 (CH3) | 23 |
| 19 (CH2) | 62.6 |
| 20 (CH3) | 18.2 |
| 6a (C) | 171 |
| 6b (CH3) | 21.4 |
| 19a (C) | 171 |
| 19b (CH3) | 21.4 |
