Spektraris NMR
Briviolide A
Common Name: Briviolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38O11/c1-12-18(31)10-20(35-15(4)29)25(6)19(34-14(3)28)8-7-17(11-27)9-21-26(33,13(2)24(32)37-21)23(22(12)25)36-16(5)30/h9,12-13,18-23,27,31,33H,7-8,10-11H2,1-6H3/b17-9+/t12-,13-,18+,19-,20-,21-,22+,23-,25-,26-/m0/s1
InChIKey: InChIKey=WPZMUAONCWECEB-GOKIANQCSA-N
Formula: C26H38O11
Molecular Weight: 526.574336
Exact Mass: 526.241412
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) | 45.7 |
| 2 (CH) | 77 |
| 3 (CH2) | 31.2 |
| 4 (CH2) | 26.3 |
| 5 (C) | 147.9 |
| 6 (CH) | 120.1 |
| 7 (CH) | 77.7 |
| 8 (C) | 82.4 |
| 9 (CH) | 75.1 |
| 10 (CH) | 33 |
| 11 (CH) | 45.5 |
| 12 (CH) | 71.4 |
| 13 (CH2) | 27 |
| 14 (CH) | 76.6 |
| 15 (CH3) | 15.2 |
| 16 (CH2) | 68.1 |
| 17 (CH) | 43.5 |
| 18 (CH3) | 6.6 |
| 19 (C) | 175.9 |
| 20 (CH3) | 15.7 |
| 2a (C) | 168.9 |
| 2b (CH3) | 21.4 |
| 9a (C) | 170 |
| 9b (CH3) | 21.5 |
| 14a (C) | 171.8 |
| 14b (CH3) | 21.7 |
