Spektraris NMR
Briviolide E
Common Name: Briviolide E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O10/c1-7-8-9-10-11-12-21(33)40-24-16(2)15-19-22(17(3)28(36)39-19)25(38-18(4)31)26-29(5,27(35)23(24)34)14-13-20(32)30(26,6)37/h13-15,19-20,23-27,32,34-35,37H,7-12H2,1-6H3/b16-15-/t19-,20+,23+,24-,25+,26+,27-,29-,30+/m0/s1
InChIKey: InChIKey=SVMVRHGGQZZPHH-AQMPWZPOSA-N
Formula: C30H44O10
Molecular Weight: 564.665519
Exact Mass: 564.293448
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) | 48.1 |
| 2 (CH) | 76.3 |
| 3 (CH) | 70.7 |
| 4 (CH) | 77.7 |
| 5 (C) | 139.1 |
| 6 (CH) | 128.5 |
| 7 (CH) | 76.9 |
| 8 (C) | 157.2 |
| 9 (CH) | 67.1 |
| 10 (CH) | 42.6 |
| 11 (C) | 74.8 |
| 12 (CH) | 70.5 |
| 13 (CH) | 122.7 |
| 14 (CH) | 142.9 |
| 15 (CH3) | 14.4 |
| 16 (CH3) | 25.9 |
| 17 (C) | 128.7 |
| 18 (CH3) | 9.5 |
| 19 (C) | 174 |
| 20 (CH3) | 20.9 |
| 4a (C) | 174 |
| 4b (CH2) | 34.1 |
| 4c (CH2) | 24.7 |
| 4d (CH2) | 28.7 |
| 4e (CH2) | 28.8 |
| 4f (CH2) | 31.5 |
| 4g (CH2) | 22.4 |
| 4h (CH3) | 13.9 |
| 9a (C) | 168.9 |
| 9b (CH3) | 21.5 |
