Spektraris NMR
Brianodins D
Common Name: Brianodins D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H34O11/c1-11-9-14(33-12(2)25)18(28)21(4)8-7-15(27)22(5,30)17(21)19(34-13(3)26)24(32)16(10-11)35-20(29)23(24,6)31/h7-8,10,14-19,27-28,30-32H,9H2,1-6H3/b11-10-/t14-,15-,16+,17-,18+,19-,21+,22-,23-,24+/m1/s1
InChIKey: InChIKey=YTZFJBSCTCHJJN-PGBXIPLMSA-N
Formula: C24H34O11
Molecular Weight: 498.521101
Exact Mass: 498.210112
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) | 49.9 |
| 2 (CH) | 79.6 |
| 3 (CH) | 75 |
| 4 (CH2) | 35.6 |
| 5 (C) | 139.8 |
| 6 (CH) | 124.9 |
| 7 (CH) | 81.8 |
| 8 (C) | 81.7 |
| 9 (CH) | 68.8 |
| 10 (CH) | 41.4 |
| 11 (C) | 77 |
| 12 (CH) | 73.2 |
| 13 (CH) | 124.6 |
| 14 (CH) | 142.7 |
| 15 (CH3) | 15.8 |
| 16 (CH3) | 35.6 |
| 17 (C) | 81.7 |
| 18 (CH3) | 17 |
| 19 (C) | 179.6 |
| 20 (CH3) | 23.6 |
| 3a (C) | 173 |
| 3b (CH3) | 23.1 |
| 9a (C) | 173.5 |
| 9b (CH3) | 22 |
