Spektraris NMR
Briarlide B
Common Name: Briarlide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O13/c1-12-11-18-28(27(8,41-28)24(34)40-18)23(39-16(5)32)21-25(6,10-9-17(26(21,7)35)36-13(2)29)22(38-15(4)31)19(33)20(12)37-14(3)30/h9-11,17-23,33,35H,1-8H3/b12-11-/t17-,18+,19+,20+,21-,22+,23+,25+,26-,27-,28+/m1/s1
InChIKey: InChIKey=BQNITDJJNQEYHP-WYUKUIHYSA-N
Formula: C28H36O13
Molecular Weight: 580.578736
Exact Mass: 580.215591
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Iwagawa, T., Nishitani, N., Kurosaki, S., Okamura, H., Nakatani, M., Doe, M., Takemura, K. J Nat Prod (2003) 66, 1412-5
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 |
| 2 (CH) | 76.5 |
| 3 (CH) | 71.2 |
| 4 (CH) | 76.8 |
| 5 (C) | 141.5 |
| 6 (CH) | 124.1 |
| 7 (CH) | 73.5 |
| 8 (C) | 71.3 |
| 9 (CH) | 64.9 |
| 10 (CH) | 44.4 |
| 11 (C) | 72.4 |
| 12 (CH) | 73 |
| 13 (CH) | 122.9 |
| 14 (CH) | 139.5 |
| 15 (CH3) | 15.5 |
| 16 (CH3) | 25.4 |
| 17 (C) | 64.8 |
| 18 (CH3) | 9.6 |
| 19 (C) | 170.2 |
| 20 (CH3) | 21.3 |
| 2a (C) | 168.4 |
| 2b (CH3) | 20.8 |
| 4a (C) | 169.4 |
| 4b (CH3) | 20.8 |
| 9a (C) | 169.7 |
| 9b (CH3) | 21.1 |
| 12a (C) | 170.6 |
| 12b (CH3) | 21.5 |
