Spektraris NMR
Briarellin O
Common Name: Briarellin O
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-XHMSHHNHSA-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., Ortega-Barria, E., Capson, T.L. J Nat Prod (2003) 66, 357-63
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Eunicellanes; 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) | 44.4 |
| 2 (CH) | 94.9 |
| 3 (C) | 86.1 |
| 4 (CH2) | 35.2 |
| 5 (CH2) | 30.4 |
| 6 (CH) | 78.8 |
| 7 (C) | 76.3 |
| 8 (CH2) | 46.6 |
| 9 (CH) | 78.6 |
| 10 (CH) | 54.4 |
| 11 (C) | 81.7 |
| 12 (CH2) | 30.1 |
| 13 (CH2) | 16.9 |
| 14 (CH) | 38.2 |
| 15 (CH3) | 23.4 |
| 16 (CH3) | 22.4 |
| 17 (CH3) | 28.6 |
| 18 (CH) | 46.3 |
| 19 (CH3) | 17.6 |
| 20 (C) | 176.2 |
| 11a (C) | 172.1 |
| 11b (CH2) | 37.1 |
| 11c (CH2) | 18.2 |
| 11d (CH3) | 13.6 |
