Spektraris NMR
Briviolide F
Common Name: Briviolide F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H48O12/c1-9-10-11-12-13-14-25(38)45-28-17(2)15-22-26(18(3)32(40)44-22)29(42-20(5)36)30-33(7,31(27(28)39)43-21(6)37)23(41-19(4)35)16-24-34(30,8)46-24/h15,22-24,27-31,39H,9-14,16H2,1-8H3/b17-15-/t22-,23-,24-,27+,28-,29+,30+,31-,33-,34-/m0/s1
InChIKey: InChIKey=UVMUFJRGIMSQGZ-SIFHTYDHSA-N
Formula: C34H48O12
Molecular Weight: 648.739036
Exact Mass: 648.314577
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Iwagawa, T., Babazono, K., Okamura, H., Nakatani, M., Doe, M., Morimoto, Y., Shiro, M., Takemura, K. Heterocycles (2005) 65, 2083-93
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) | 44.9 |
| 2 (CH) | 71.5 |
| 3 (CH) | 70.1 |
| 4 (CH) | 77.2 |
| 5 (C) | 141.2 |
| 6 (CH) | 127.4 |
| 7 (CH) | 77.2 |
| 8 (C) | 155.8 |
| 9 (CH) | 69.5 |
| 10 (CH) | 41 |
| 11 (C) | 61.8 |
| 12 (CH) | 61.1 |
| 13 (CH2) | 24.8 |
| 14 (CH) | 73.9 |
| 15 (CH3) | 16 |
| 16 (CH3) | 25.2 |
| 17 (C) | 129 |
| 18 (CH3) | 10.3 |
| 19 (C) | 173 |
| 20 (CH3) | 23.6 |
| 2a (C) | 167.9 |
| 2b (CH3) | 20.6 |
| 4a (C) | 173.3 |
| 4b (CH2) | 34.2 |
| 4c (CH2) | 24.8 |
| 4d (CH2) | 29 |
| 4e (CH2) | 28.9 |
| 4f (CH2) | 31.6 |
| 4g (CH2) | 21 |
| 4h (CH3) | 14.1 |
| 9a (C) | 170.4 |
| 9b (CH3) | 22.6 |
| 14a (C) | 170.5 |
| 14b (CH3) | 21.4 |
