Spektraris NMR
Asebotoxin IV
Common Name: Asebotoxin IV
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H38O8/c1-6-15(25)31-18-17(27)22-10-20(4,28)11(16(22)26)7-8-12(22)21(5,29)13-9-14(24)19(2,3)23(13,18)30/h11-14,16-18,24,26-30H,6-10H2,1-5H3/t11-,12+,13+,14+,16-,17-,18-,20-,21-,22-,23+/m1/s1
InChIKey: InChIKey=UDJBPAUQWLWDFT-HGAVMHFCSA-N
Formula: C23H38O8
Molecular Weight: 442.543914
Exact Mass: 442.256668
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ding, L., Qin, G.W., Lin, G., Cheng, K.F. Phytochemistry (1998) 49, 2045-8
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) | 52.4 |
| 2 (CH2) | 35.6 |
| 3 (CH) | 82.7 |
| 4 (C) | 52 |
| 5 (C) | 83.1 |
| 6 (CH) | 81.7 |
| 7 (CH) | 77 |
| 8 (C) | 56.3 |
| 9 (CH) | 53.9 |
| 10 (C) | 77.7 |
| 11 (CH2) | 22.7 |
| 12 (CH2) | 26.6 |
| 13 (CH) | 56.8 |
| 14 (CH) | 81.5 |
| 15 (CH2) | 52.2 |
| 16 (C) | 79.6 |
| 17 (CH3) | 23.8 |
| 18 (CH3) | 23.1 |
| 19 (CH3) | 19.9 |
| 20 (CH3) | 28.6 |
| 6a (C) | 174.7 |
| 6b (CH2) | 28.6 |
| 6c (CH3) | 9.5 |
