Spektraris NMR
Violide O
Common Name: Violide O
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O15/c1-13-12-20-30(39,29(9,38)26(36)45-20)25(44-18(6)35)23-27(7,11-10-19(28(23,8)37)40-14(2)31)24(43-17(5)34)22(42-16(4)33)21(13)41-15(3)32/h10-12,19-25,37-39H,1-9H3/b13-12-/t19-,20+,21+,22+,23-,24+,25+,27+,28-,29-,30+/m1/s1
InChIKey: InChIKey=DRUJOKSGIYYJPI-CXIANTJISA-N
Formula: C30H40O15
Molecular Weight: 640.630781
Exact Mass: 640.236721
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) | 46.8 |
| 2 (CH) | 77.1 |
| 3 (CH) | 71 |
| 4 (CH) | 76.4 |
| 5 (C) | 138 |
| 6 (CH) | 127.6 |
| 7 (CH) | 77.6 |
| 8 (C) | 78.6 |
| 9 (CH) | 65.3 |
| 10 (CH) | 39.2 |
| 11 (C) | 76.2 |
| 12 (CH) | 72 |
| 13 (CH) | 121.2 |
| 14 (CH) | 142.2 |
| 15 (CH3) | 15.5 |
| 16 (CH3) | 25.8 |
| 17 (C) | 80.1 |
| 18 (CH3) | 16.9 |
| 19 (C) | 175.8 |
| 20 (CH3) | 23.7 |
| 2a (C) | 168.8 |
| 2b (CH3) | 20.6 |
| 3a (C) | 172 |
| 3b (CH3) | 20.9 |
| 4a (C) | 169.3 |
| 4b (CH3) | 20.9 |
| 9a (C) | 172.6 |
| 9b (CH3) | 20.9 |
| 12a (C) | 170.3 |
| 12b (CH3) | 22 |
