Spektraris NMR
Briarellin A
Common Name: Briarellin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H44O7/c1-6-7-8-9-10-11-22(30)34-21-15-19(29)16(2)14-20-24-23-18(12-13-27(24,4)32)17(3)26(31)35-28(21,5)25(23)33-20/h17-21,23-25,29,32H,2,6-15H2,1,3-5H3/t17-,18+,19+,20+,21-,23+,24+,25+,27-,28+/m1/s1
InChIKey: InChIKey=BSGHPVXUHAMISR-HMIFWFFKSA-N
Formula: C28H44O7
Molecular Weight: 492.645833
Exact Mass: 492.308704
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Cobar, O.M. Tetrahedron (1995) 51, 6869-80
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) | 44.7 |
| 2 (CH) | 92.5 |
| 3 (C) | 74.3 |
| 4 (CH) | 72.2 |
| 5 (CH2) | 34.8 |
| 6 (CH) | 82.9 |
| 7 (C) | 142.3 |
| 8 (CH2) | 42.2 |
| 9 (CH) | 82.4 |
| 10 (CH) | 47.6 |
| 11 (C) | 80.5 |
| 12 (CH2) | 30.3 |
| 13 (CH2) | 16.4 |
| 14 (CH) | 37.5 |
| 15 (CH) | 45.2 |
| 16 (C) | 176 |
| 17 (CH3) | 17.5 |
| 18 (CH3) | 22.5 |
| 19 (CH2) | 119.7 |
| 20 (CH3) | 28.8 |
| 4a (C) | 172.8 |
| 4b (CH2) | 34.4 |
| 4c (CH2) | 24.9 |
| 4d (CH2) | 29 |
| 4e (CH2) | 28.8 |
| 4f (CH2) | 31.8 |
| 4g (CH2) | 23 |
| 4h (CH3) | 14 |
