Spektraris NMR
Brianodins C
Common Name: Brianodins C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O13/c1-11-10-16-26(35,25(7,34)22(32)39-16)21(38-14(4)29)19-23(5,9-8-15(30)24(19,6)33)20(37-13(3)28)17(31)18(11)36-12(2)27/h8-10,15-21,30-31,33-35H,1-7H3/b11-10-/t15-,16+,17-,18+,19-,20+,21-,23+,24-,25-,26+/m1/s1
InChIKey: InChIKey=BPTLBHIBVVUJOL-CJJMLAQQSA-N
Formula: C26H36O13
Molecular Weight: 556.557265
Exact Mass: 556.215591
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Ishiyama, H., Okubo, T., Yasuda, T., Takahashi, Y., Iguchi, K., Kobayashi, J. J Nat Prod (2008) 71, 633-6
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) | 49 |
| 2 (CH) | 79.8 |
| 3 (CH) | 72.8 |
| 4 (CH) | 80.5 |
| 5 (C) | 141.8 |
| 6 (CH) | 128.2 |
| 7 (CH) | 80.1 |
| 8 (C) | 81.2 |
| 9 (CH) | 68.4 |
| 10 (CH) | 40.8 |
| 11 (C) | 77.1 |
| 12 (CH) | 72.3 |
| 13 (CH) | 126.4 |
| 14 (CH) | 140.9 |
| 15 (CH3) | 17.1 |
| 16 (CH3) | 26.9 |
| 17 (C) | 81.7 |
| 18 (CH3) | 16.8 |
| 19 (C) | 179.4 |
| 20 (CH3) | 23.8 |
| 2a (C) | 173.1 |
| 2b (CH3) | 21.5 |
| 4a (C) | 173.1 |
| 4b (CH3) | 21.8 |
| 9a (C) | 173.4 |
| 9b (CH3) | 23.1 |
