Spektraris NMR
Violide N
Common Name: Violide N
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H46O12/c1-7-8-9-10-11-12-25(37)42-21-16-23(40-18(2)34)29(4)14-13-22(36)30(5,39)26(29)27(41-19(3)35)32-24(15-20(21)17-33)43-28(38)31(32,6)44-32/h13-15,21-24,26-27,33,36,39H,7-12,16-17H2,1-6H3/b20-15-/t21-,22-,23+,24+,26-,27+,29-,30-,31-,32+/m1/s1
InChIKey: InChIKey=UELWCMPLIPTDHA-XPHDCRJFSA-N
Formula: C32H46O12
Molecular Weight: 622.701683
Exact Mass: 622.298927
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Iwagawa, T., Hirose, T., Takayama, K., Okamura, H., Nakatani, M., Doe, M., Takemura, K. Heterocycles (2000) 53, 1789-92
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) | 46.7 |
| 2 (CH) | 78 |
| 3 (CH2) | 38.3 |
| 4 (CH) | 69.5 |
| 5 (C) | 146.4 |
| 6 (CH) | 123.7 |
| 7 (CH) | 73.4 |
| 8 (C) | 71.1 |
| 9 (CH) | 65.8 |
| 10 (CH) | 43.3 |
| 11 (C) | 73.6 |
| 12 (CH) | 70.4 |
| 13 (CH) | 124.9 |
| 14 (CH) | 138.5 |
| 15 (CH3) | 15.2 |
| 16 (CH2) | 65.9 |
| 17 (C) | 64.4 |
| 18 (CH3) | 9.8 |
| 19 (C) | 171 |
| 20 (CH3) | 21.4 |
| 2a (C) | 168.1 |
| 2b (CH3) | 21.1 |
| 4a (C) | 173.2 |
| 4b (CH2) | 34.3 |
| 4c (CH2) | 24.8 |
| 4d (CH2) | 29 |
| 4e (CH2) | 28.9 |
| 4f (CH2) | 31.6 |
| 4g (CH2) | 22.6 |
| 4h (CH3) | 14.1 |
| 9a (C) | 170.6 |
| 9b (CH3) | 21.6 |
