Spektraris NMR
Briantheins C
Common Name: Briantheins C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H34O11/c1-11-8-15(32-12(2)27)20(30)23(5)16(33-13(3)28)10-17-24(6,36-17)19(23)21(34-14(4)29)26-18(9-11)35-22(31)25(26,7)37-26/h9,15-21,30H,8,10H2,1-7H3/b11-9-/t15-,16+,17+,18+,19-,20-,21-,23+,24+,25-,26+/m1/s1
InChIKey: InChIKey=LJUFCLLWAUCWFC-SLLROFSJSA-N
Formula: C26H34O11
Molecular Weight: 522.542573
Exact Mass: 522.210112
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Aoki, S., Okano, M., Matsui, K., Itoh, T., Satari, R., Akiyama, S.i., Kobayashi, M. Tetrahedron (2001) 57, 8951-7
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) | 46.5 |
| 2 (CH) | 72.7 |
| 3 (CH) | 71.6 |
| 4 (CH2) | 34.6 |
| 5 (C) | 140 |
| 6 (CH) | 120.9 |
| 7 (CH) | 74.4 |
| 8 (C) | 71 |
| 9 (CH) | 69.5 |
| 10 (CH) | 42.8 |
| 11 (C) | 62.4 |
| 12 (CH) | 60.5 |
| 13 (CH2) | 24.9 |
| 14 (CH) | 74.6 |
| 15 (CH3) | 13.9 |
| 16 (CH3) | 27.4 |
| 17 (C) | 64 |
| 18 (CH3) | 10.1 |
| 19 (C) | 170.9 |
| 20 (CH3) | 24.5 |
| 3a (C) | 169.4 |
| 3b (CH3) | 21.2 |
| 9a (C) | 167.9 |
| 9b (CH3) | 21 |
| 14a (C) | 170.1 |
| 14b (CH3) | 21 |
