Spektraris NMR
Briviolide I
Common Name: Briviolide I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H32O6/c1-13-8-7-9-22(4)18(11-16(17(25)10-13)14(2)21(26)27-6)23(5)20(29-23)12-19(22)28-15(3)24/h10,18-20H,7-9,11-12H2,1-6H3/b13-10-,16-14-/t18-,19+,20+,22-,23-/m1/s1
InChIKey: InChIKey=MJVAAUFUSYYHSA-SVODMOCFSA-N
Formula: C23H32O6
Molecular Weight: 404.497459
Exact Mass: 404.219889
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) | 38.8 |
| 2 (CH2) | 36.8 |
| 3 (CH2) | 22.7 |
| 4 (CH2) | 31.7 |
| 5 (C) | 148.9 |
| 6 (CH) | 128.6 |
| 7 (C) | 202.2 |
| 8 (C) | 154.7 |
| 9 (CH2) | 31.9 |
| 10 (CH) | 35.4 |
| 11 (C) | 62.5 |
| 12 (CH) | 59.6 |
| 13 (CH2) | 27.8 |
| 14 (CH) | 77.6 |
| 15 (CH3) | 22.3 |
| 16 (CH3) | 24 |
| 17 (C) | 123.6 |
| 18 (CH3) | 14.3 |
| 19 (C) | 168 |
| 20 (CH3) | 22.8 |
| 14a (C) | 170.5 |
| 14b (CH3) | 21.6 |
| 19a (CH3) | 52 |
