Spektraris NMR
Brianodins A
Common Name: Brianodins A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H34O11/c1-12-10-16(33-13(2)27)20(30)23(5)9-8-17(34-14(3)28)24(6,32)19(23)21(35-15(4)29)26-18(11-12)36-22(31)25(26,7)37-26/h8-9,11,16-21,30,32H,10H2,1-7H3/b12-11-/t16-,17-,18+,19-,20+,21-,23+,24-,25-,26+/m1/s1
InChIKey: InChIKey=VTOQVTKIZWJWGX-LBOUFTSASA-N
Formula: C26H34O11
Molecular Weight: 522.542573
Exact Mass: 522.210112
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) | 48 |
| 2 (CH) | 77.7 |
| 3 (CH) | 71.7 |
| 4 (CH2) | 33.9 |
| 5 (C) | 138.9 |
| 6 (CH) | 120.7 |
| 7 (CH) | 74 |
| 8 (C) | 71.5 |
| 9 (CH) | 65 |
| 10 (CH) | 44.1 |
| 11 (C) | 72 |
| 12 (CH) | 73 |
| 13 (CH) | 121.1 |
| 14 (CH) | 141.5 |
| 15 (CH3) | 13.4 |
| 16 (CH3) | 27.4 |
| 17 (C) | 64.8 |
| 18 (CH3) | 9.5 |
| 19 (C) | 170.1 |
| 20 (CH3) | 21 |
| 3a (C) | 168.4 |
| 3b (CH3) | 20.6 |
| 9a (C) | 168.8 |
| 9b (CH3) | 20.8 |
| 12a (C) | 169.3 |
| 12b (CH3) | 20.8 |
