Spektraris NMR
Violide E
Common Name: Violide E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O13/c1-9-10-20(35)42-21-14(2)13-19-30(29(8,43-30)26(36)41-19)25(40-17(5)33)23-27(6,12-11-18(34)28(23,7)37)24(39-16(4)32)22(21)38-15(3)31/h11-13,18-19,21-25,34,37H,9-10H2,1-8H3/b14-13-/t18-,19+,21+,22+,23-,24+,25+,27+,28-,29-,30+/m1/s1
InChIKey: InChIKey=DVWNRUWDZLVEMY-FDEGUXKTSA-N
Formula: C30H40O13
Molecular Weight: 608.631971
Exact Mass: 608.246891
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) | 170.8 |
| 20 (CH3) | 21.2 |
| 2a (C) | 168.9 |
| 2b (CH3) | 20.6 |
| 3a (C) | 169.7 |
| 3b (CH3) | 21 |
| 4a (C) | 172.6 |
| 4b (CH2) | 36.1 |
| 4c (CH2) | 18.2 |
| 4d (CH3) | 13.6 |
| 9a (C) | 170 |
| 9b (CH3) | 21.3 |
