Spektraris NMR
Brianodins B
Common Name: Brianodins B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O14/c1-12-11-18-28(37,27(8,36)24(34)42-18)23(41-16(5)32)21-25(6,10-9-17(26(21,7)35)38-13(2)29)22(40-15(4)31)19(33)20(12)39-14(3)30/h9-11,17-23,33,35-37H,1-8H3/b12-11-/t17-,18+,19-,20+,21-,22+,23-,25+,26-,27-,28+/m1/s1
InChIKey: InChIKey=WRMRTVQZNMWLDP-CGLYFSMUSA-N
Formula: C28H38O14
Molecular Weight: 598.594023
Exact Mass: 598.226156
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) | 47 |
| 2 (CH) | 78.4 |
| 3 (CH) | 70.8 |
| 4 (CH) | 77.1 |
| 5 (C) | 139.4 |
| 6 (CH) | 126.5 |
| 7 (CH) | 79.3 |
| 8 (C) | 79.3 |
| 9 (CH) | 65.6 |
| 10 (CH) | 39.6 |
| 11 (C) | 75.8 |
| 12 (CH) | 72.2 |
| 13 (CH) | 121.1 |
| 14 (CH) | 141.7 |
| 15 (CH3) | 16.8 |
| 16 (CH3) | 25.9 |
| 17 (C) | 80.2 |
| 18 (CH3) | 15.6 |
| 19 (C) | 176.4 |
| 20 (CH3) | 23.6 |
| 2a (C) | 169.9 |
| 2b (CH3) | 21 |
| 4a (C) | 170.9 |
| 4b (CH3) | 21.2 |
| 9a (C) | 171.3 |
| 9b (CH3) | 21.4 |
| 12a (C) | 172.7 |
| 12b (CH3) | 22.3 |
