Spektraris NMR
Violide F
Common Name: Violide F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O11/c1-7-8-9-10-11-12-20(33)40-22-16(2)15-19-30(29(6,41-30)26(36)39-19)25(38-17(3)31)23-27(4,24(35)21(22)34)14-13-18(32)28(23,5)37/h13-15,18-19,21-25,32,34-35,37H,7-12H2,1-6H3/b16-15-/t18-,19+,21+,22+,23-,24+,25+,27+,28-,29-,30+/m1/s1
InChIKey: InChIKey=XUYZOPTVNYRDDZ-HGXUNBEYSA-N
Formula: C30H44O11
Molecular Weight: 580.664924
Exact Mass: 580.288362
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Iwagawa, T., Takayama, K., Okamura, H., Nakatani, M., Doe, M. Heterocycles (1999) 51, 1653-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Briaranes; 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 (C) | 48.5 |
| 2 (CH) | 76 |
| 3 (CH) | 71.1 |
| 4 (CH) | 77.8 |
| 5 (C) | 140.9 |
| 6 (CH) | 123.7 |
| 7 (CH) | 73.6 |
| 8 (C) | 71.4 |
| 9 (CH) | 65.5 |
| 10 (CH) | 43.9 |
| 11 (C) | 73.9 |
| 12 (CH) | 70.6 |
| 13 (CH) | 123.2 |
| 14 (CH) | 140.5 |
| 15 (CH3) | 14.2 |
| 16 (CH3) | 26.1 |
| 17 (C) | 64.7 |
| 18 (CH3) | 9.7 |
| 19 (C) | 170.4 |
| 20 (CH3) | 21.6 |
| 4a (C) | 173.8 |
| 4b (CH2) | 34.2 |
| 4c (CH2) | 24.8 |
| 4d (CH2) | 31.6 |
| 4e (CH2) | 28.9 |
| 4f (CH2) | 29 |
| 4g (CH2) | 22.6 |
| 4h (CH3) | 14.1 |
| 9a (C) | 168.3 |
| 9b (CH3) | 21.5 |
