Spektraris NMR
Briarellin C
Common Name: Briarellin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O8/c1-7-9-10-11-12-14-26(34)39-24-18-22(37-25(33)13-8-2)19(3)17-23-28-27-21(15-16-31(28,5)36)20(4)30(35)40-32(24,6)29(27)38-23/h20-24,27-29,36H,3,7-18H2,1-2,4-6H3/t20-,21+,22-,23+,24-,27+,28+,29+,31-,32+/m1/s1
InChIKey: InChIKey=GJBKUEBHQHHBBC-CETGDUSRSA-N
Formula: C32H50O8
Molecular Weight: 562.735826
Exact Mass: 562.350569
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) | 44.8 |
| 2 (CH) | 92.5 |
| 3 (C) | 74.2 |
| 4 (CH) | 71.9 |
| 5 (CH2) | 36.3 |
| 6 (CH) | 72.4 |
| 7 (C) | 142.7 |
| 8 (CH2) | 41 |
| 9 (CH) | 82.4 |
| 10 (CH) | 47.5 |
| 11 (C) | 80.6 |
| 12 (CH2) | 30.2 |
| 13 (CH2) | 16.3 |
| 14 (CH) | 37.5 |
| 15 (CH) | 45.3 |
| 16 (C) | 175.9 |
| 17 (CH3) | 17.5 |
| 18 (CH3) | 22.7 |
| 19 (CH2) | 119.5 |
| 20 (CH3) | 28.7 |
| 4a (C) | 173 |
| 4b (CH2) | 34.4 |
| 4c (CH2) | 24.8 |
| 4d (CH2) | 28.8 |
| 4e (CH2) | 29 |
| 4f (CH2) | 31.6 |
| 4g (CH2) | 22.5 |
| 4h (CH3) | 13.6 |
| 6a (C) | 172.9 |
| 6b (CH2) | 36.3 |
| 6c (CH2) | 18.3 |
| 6d (CH3) | 14 |
