Spektraris NMR
Briarlide J
Common Name: Briarlide J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H34O12/c1-11-10-16-26(25(7,38-26)22(32)37-16)21(36-14(4)29)19-23(5,9-8-15(30)24(19,6)33)20(35-13(3)28)17(31)18(11)34-12(2)27/h8-10,15-21,30-31,33H,1-7H3/b11-10-/t15-,16+,17-,18+,19-,20+,21+,23+,24-,25+,26+/m1/s1
InChIKey: InChIKey=SQRNWQJETGUHKY-UZYMJSJESA-N
Formula: C26H34O12
Molecular Weight: 538.541978
Exact Mass: 538.205027
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Iwagawa, T., Nishitani, N., Nakatani, M., Doe, M., Morimoto, Y., Takemura, K. J Nat Prod (2005) 68, 31-5
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) | 47.1 |
| 2 (CH) | 76.7 |
| 3 (CH) | 71.3 |
| 4 (CH) | 76.8 |
| 5 (C) | 141.1 |
| 6 (CH) | 124.2 |
| 7 (CH) | 73.6 |
| 8 (C) | 71.2 |
| 9 (CH) | 65.4 |
| 10 (CH) | 43.7 |
| 11 (C) | 73.7 |
| 12 (CH) | 70.2 |
| 13 (CH) | 125.1 |
| 14 (CH) | 138 |
| 15 (CH3) | 15.5 |
| 16 (CH3) | 25.5 |
| 17 (C) | 64.5 |
| 18 (CH3) | 9.6 |
| 19 (C) | 170.7 |
| 20 (CH3) | 21.4 |
| 2a (C) | 168.4 |
| 2b (CH3) | 20.8 |
| 4a (C) | 170.3 |
| 4b (CH3) | 21.1 |
| 9a (C) | 170.7 |
| 9b (CH3) | 21.4 |
