Spektraris NMR
Asebotoxins V
Common Name: Asebotoxins V
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H40O9/c1-7-17(28)34-19-20(33-12(2)26)25(32)15(10-16(27)21(25,3)4)23(6,31)14-9-8-13-18(29)24(14,19)11-22(13,5)30/h13-16,18-20,27,29-32H,7-11H2,1-6H3/t13-,14+,15+,16+,18-,19-,20-,22-,23-,24-,25+/m1/s1
InChIKey: InChIKey=JJRZRLHOOJBTFY-XOMXQSAFSA-N
Formula: C25H40O9
Molecular Weight: 484.580672
Exact Mass: 484.267233
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Wang, L.Q., Chen, S.N., Qin, G.W., Cheng, K.F. J Nat Prod (1998) 61, 1473-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Grayananes; 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 (CH) | 51.5 |
| 2 (CH2) | 35.5 |
| 3 (CH) | 82.7 |
| 4 (C) | 52 |
| 5 (C) | 83.1 |
| 6 (CH) | 78.8 |
| 7 (CH) | 77.6 |
| 8 (C) | 56.6 |
| 9 (CH) | 54.6 |
| 10 (C) | 77.6 |
| 11 (CH2) | 22.6 |
| 12 (CH2) | 27 |
| 13 (CH) | 56.5 |
| 14 (CH) | 80.1 |
| 15 (CH2) | 51.8 |
| 16 (C) | 79.5 |
| 17 (CH3) | 24 |
| 18 (CH3) | 23.1 |
| 19 (CH3) | 19.7 |
| 20 (CH3) | 28.5 |
| 6a (C) | 169.8 |
| 6b (CH3) | 21.6 |
| 7a (C) | 174.3 |
| 7b (CH2) | 28.3 |
| 7c (CH3) | 9.2 |
