Spektraris NMR
Briarellin Q
Common Name: Briarellin Q
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H38O7/c1-6-7-17(26)30-23(4)10-8-14-13(2)21(27)31-24(5)11-9-16(25)22(3,28)12-15-19(23)18(14)20(24)29-15/h13-16,18-20,25,28H,6-12H2,1-5H3/t13-,14+,15+,16-,18+,19+,20+,22+,23-,24+/m1/s1
InChIKey: InChIKey=UPNPHDYOBCYLCB-GDSDLLCPSA-N
Formula: C24H38O7
Molecular Weight: 438.555245
Exact Mass: 438.261754
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ospina, C.A., Rodriguez, A.D. J Nat Prod (2006) 69, 1721-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Unicellanes; 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 (CH) | 44.8 |
| 2 (CH) | 95.6 |
| 3 (C) | 85.8 |
| 4 (CH2) | 35.3 |
| 5 (CH2) | 29.9 |
| 6 (CH) | 78.9 |
| 7 (C) | 73.9 |
| 8 (CH2) | 46.8 |
| 9 (CH) | 79.6 |
| 10 (CH) | 54.2 |
| 11 (C) | 81.3 |
| 12 (CH2) | 30.1 |
| 13 (CH2) | 17.1 |
| 14 (CH) | 38.3 |
| 15 (CH) | 46.3 |
| 16 (C) | 176 |
| 17 (CH3) | 17.5 |
| 18 (CH3) | 23.4 |
| 19 (CH3) | 25.4 |
| 20 (CH3) | 28.7 |
| 11a (C) | 172.3 |
| 11b (CH2) | 37.2 |
| 11c (CH2) | 18.3 |
| 11d (CH3) | 13.6 |
