Spektraris NMR
Violide C
Common Name: Violide C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H48O13/c1-9-10-11-12-13-14-24(39)46-25-18(2)17-23-34(33(8,47-34)30(40)45-23)29(44-21(5)37)27-31(6,16-15-22(38)32(27,7)41)28(43-20(4)36)26(25)42-19(3)35/h15-17,22-23,25-29,38,41H,9-14H2,1-8H3/b18-17-/t22-,23+,25+,26+,27-,28+,29+,31+,32-,33-,34+/m1/s1
InChIKey: InChIKey=STQPJRIYXIYINK-VITJTSBPSA-N
Formula: C34H48O13
Molecular Weight: 664.738441
Exact Mass: 664.309492
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) | 46.9 |
| 2 (CH) | 76.9 |
| 3 (CH) | 71 |
| 4 (CH) | 76 |
| 5 (C) | 140.5 |
| 6 (CH) | 125.3 |
| 7 (CH) | 73.4 |
| 8 (C) | 71.5 |
| 9 (CH) | 65.5 |
| 10 (CH) | 43.1 |
| 11 (C) | 74 |
| 12 (CH) | 70.2 |
| 13 (CH) | 125.4 |
| 14 (CH) | 138.5 |
| 15 (CH3) | 15.5 |
| 16 (CH3) | 25.4 |
| 17 (C) | 64.6 |
| 18 (CH3) | 10 |
| 19 (C) | 170.7 |
| 20 (CH3) | 21.2 |
| 2a (C) | 168.8 |
| 2b (CH3) | 20.6 |
| 3a (C) | 170 |
| 3b (CH3) | 21.3 |
| 4a (C) | 172.8 |
| 4b (CH2) | 34.2 |
| 4c (CH2) | 24.7 |
| 4d (CH2) | 31.6 |
| 4e (CH2) | 28.8 |
| 4f (CH2) | 29 |
| 4g (CH2) | 22.6 |
| 4h (CH3) | 14.1 |
| 9a (C) | 169.7 |
| 9b (CH3) | 21 |
