Spektraris NMR
Asebotoxins VIII
Common Name: Asebotoxins VIII
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H40O9/c1-7-17(28)34-19-13-8-9-14-23(6,31)15-10-16(27)21(3,4)25(15,32)20(33-12(2)26)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=LXIWLIRNRFFNMR-PQNZVRLMSA-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) | 51.9 |
| 2 (CH2) | 35.6 |
| 3 (CH) | 82.7 |
| 4 (C) | 51.8 |
| 5 (C) | 82.9 |
| 6 (CH) | 80.5 |
| 7 (CH) | 74.9 |
| 8 (C) | 56.2 |
| 9 (CH) | 55.2 |
| 10 (C) | 77.5 |
| 11 (CH2) | 22.7 |
| 12 (CH2) | 27.3 |
| 13 (CH) | 55.3 |
| 14 (CH) | 83.2 |
| 15 (CH2) | 52.1 |
| 16 (C) | 78.5 |
| 17 (CH3) | 24 |
| 18 (CH3) | 23 |
| 19 (CH3) | 19.7 |
| 20 (CH3) | 28.6 |
| 6a (C) | 171.2 |
| 6b (CH3) | 21.7 |
| 14a (C) | 173.8 |
| 14b (CH2) | 28.2 |
| 14c (CH3) | 9.1 |
