Spektraris NMR
Violide I
Common Name: Violide I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O11/c1-8-9-10-11-23(34)39-19-15-21(37-17(3)31)27(5)13-12-20(33)28(6,36)24(27)25(38-18(4)32)30-22(14-16(19)2)40-26(35)29(30,7)41-30/h12-14,19-22,24-25,33,36H,8-11,15H2,1-7H3/b16-14-/t19-,20-,21+,22+,24-,25+,27-,28-,29-,30+/m1/s1
InChIKey: InChIKey=MIECSDUSJFBTJV-BRJMZNPYSA-N
Formula: C30H42O11
Molecular Weight: 578.649043
Exact Mass: 578.272712
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) | 46.8 |
| 2 (CH) | 77.6 |
| 3 (CH2) | 38.3 |
| 4 (CH) | 72.1 |
| 5 (C) | 144.1 |
| 6 (CH) | 123 |
| 7 (CH) | 73.7 |
| 8 (C) | 71.1 |
| 9 (CH) | 65.8 |
| 10 (CH) | 43.4 |
| 11 (C) | 73.7 |
| 12 (CH) | 70.3 |
| 13 (CH) | 124.8 |
| 14 (CH) | 138.7 |
| 15 (CH3) | 15.2 |
| 16 (CH3) | 25.8 |
| 17 (C) | 64.5 |
| 18 (CH3) | 9.8 |
| 19 (C) | 170.7 |
| 20 (CH3) | 21.4 |
| 2a (C) | 168.2 |
| 2b (CH3) | 21.1 |
| 4a (C) | 172.9 |
| 4b (CH2) | 34.2 |
| 4c (CH2) | 31.2 |
| 4d (CH2) | 24.5 |
| 4e (CH2) | 22.3 |
| 4f (CH3) | 13.9 |
| 9a (C) | 170.3 |
| 9b (CH3) | 21.6 |
