Spektraris NMR
Briarellin R
Common Name: Briarellin R
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H36O5/c1-6-8-18(25)28-23(4)12-10-16-15(3)22(26)29-24(5)11-7-9-14(2)13-17-20(23)19(16)21(24)27-17/h9,15-17,19-21H,6-8,10-13H2,1-5H3/b14-9-/t15-,16+,17+,19+,20+,21+,23-,24+/m1/s1
InChIKey: InChIKey=WFKXCGWVYJNIRE-XGLLRKHSSA-N
Formula: C24H36O5
Molecular Weight: 404.540553
Exact Mass: 404.256274
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) | 45.8 |
| 2 (CH) | 91.7 |
| 3 (C) | 85 |
| 4 (CH2) | 34.4 |
| 5 (CH2) | 22.8 |
| 6 (CH) | 130 |
| 7 (C) | 131.2 |
| 8 (CH2) | 38.4 |
| 9 (CH) | 80.8 |
| 10 (CH) | 49.9 |
| 11 (C) | 81.3 |
| 12 (CH2) | 30.1 |
| 13 (CH2) | 16.7 |
| 14 (CH) | 37.3 |
| 15 (CH) | 46.1 |
| 16 (C) | 176.1 |
| 17 (CH3) | 17.6 |
| 18 (CH3) | 23.1 |
| 19 (CH3) | 26.7 |
| 20 (CH3) | 28.7 |
| 11a (C) | 172.3 |
| 11b (CH2) | 37.4 |
| 11c (CH2) | 18.4 |
| 11d (CH3) | 13.6 |
