Spektraris NMR
Violide P
Common Name: Violide P
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O13/c1-13-11-18(37-14(2)29)22(39-16(4)31)25(6)10-9-19(38-15(3)30)26(7,34)21(25)23(40-17(5)32)28(36)20(12-13)41-24(33)27(28,8)35/h9-10,12,18-23,34-36H,11H2,1-8H3/b13-12-/t18-,19+,20-,21+,22-,23-,25-,26+,27+,28-/m0/s1
InChIKey: InChIKey=WTAVEXXVQBMTGW-ZKMTVYQFSA-N
Formula: C28H38O13
Molecular Weight: 582.594618
Exact Mass: 582.231241
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) | 77.8 |
| 3 (CH) | 71.4 |
| 4 (CH2) | 34.4 |
| 5 (C) | 137.9 |
| 6 (CH) | 123.2 |
| 7 (CH) | 78.9 |
| 8 (C) | 79 |
| 9 (CH) | 65.7 |
| 10 (CH) | 39.4 |
| 11 (C) | 75.9 |
| 12 (CH) | 72.2 |
| 13 (CH) | 120.8 |
| 14 (CH) | 141.9 |
| 15 (CH3) | 15.4 |
| 16 (CH3) | 27.4 |
| 17 (C) | 80.3 |
| 18 (CH3) | 16.9 |
| 19 (C) | 175.7 |
| 20 (CH3) | 23.7 |
| 2a (C) | 170 |
| 2b (CH3) | 20.8 |
| 3a (C) | 171.1 |
| 3b (CH3) | 21 |
| 9a (C) | 170.2 |
| 9b (CH3) | 21.2 |
| 12a (C) | 172.7 |
| 12b (CH3) | 21.9 |
