Spektraris NMR
Briarellin D
Common Name: Briarellin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H36O6/c1-6-7-18(26)29-23(4)10-8-15-14(3)22(27)30-24(5)11-9-16(25)13(2)12-17-20(23)19(15)21(24)28-17/h14-17,19-21,25H,2,6-12H2,1,3-5H3/t14-,15+,16-,17+,19+,20+,21+,23-,24+/m1/s1
InChIKey: InChIKey=UCDUEWRTJNDUNP-IUROXWAKSA-N
Formula: C24H36O6
Molecular Weight: 420.539958
Exact Mass: 420.251189
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) | 44.9 |
| 2 (CH) | 91.1 |
| 3 (C) | 81 |
| 4 (CH2) | 30.3 |
| 5 (CH2) | 32.8 |
| 6 (CH) | 72.6 |
| 7 (C) | 147.9 |
| 8 (CH2) | 41.4 |
| 9 (CH) | 82.4 |
| 10 (CH) | 47.7 |
| 11 (C) | 84.9 |
| 12 (CH2) | 28.7 |
| 13 (CH2) | 16.8 |
| 14 (CH) | 37 |
| 15 (CH) | 45.9 |
| 16 (C) | 176.1 |
| 17 (CH3) | 17.5 |
| 18 (CH3) | 20.7 |
| 19 (CH2) | 117.3 |
| 20 (CH3) | 28.9 |
| 11a (C) | 172.4 |
| 11b (CH2) | 37.4 |
| 11c (CH2) | 18.4 |
| 11d (CH3) | 13.6 |
