Spektraris NMR
Briantheins B
Common Name: Briantheins B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H34O10/c1-12-8-21-18(13(2)25(30)35-21)10-19-14(3)20(36-31)11-23(33-16(5)28)26(19,7)24(34-17(6)29)22(9-12)32-15(4)27/h8,19-24,31H,3,9-11H2,1-2,4-7H3/b12-8-/t19-,20-,21-,22+,23-,24+,26+/m0/s1
InChIKey: InChIKey=YEHJKQCTLMKIDT-ABGMSLTASA-N
Formula: C26H34O10
Molecular Weight: 506.543168
Exact Mass: 506.215197
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) | 41.5 |
| 2 (CH) | 73.1 |
| 3 (CH) | 68.6 |
| 4 (CH2) | 35.7 |
| 5 (C) | 144.5 |
| 6 (CH) | 127.6 |
| 7 (CH) | 80.1 |
| 8 (C) | 158.6 |
| 9 (CH2) | 30.7 |
| 10 (CH) | 37.4 |
| 11 (C) | 136.5 |
| 12 (CH) | 82.5 |
| 13 (CH2) | 26.7 |
| 14 (CH) | 71.1 |
| 15 (CH3) | 13.2 |
| 16 (CH3) | 30.4 |
| 17 (C) | 126 |
| 18 (CH3) | 8.4 |
| 19 (C) | 173.9 |
| 20 (CH2) | 116.2 |
| 2a (C) | 170.6 |
| 2b (CH3) | 19.7 |
| 3a (C) | 169.8 |
| 3b (CH3) | 20.6 |
| 14a (C) | 169.9 |
| 14b (CH3) | 20.1 |
