Spektraris NMR
CrotobrasilinB
Common Name: CrotobrasilinB
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H26O6/c1-19-11-15(13-7-10-26-12-13)27-17(22)14(19)6-9-20(2)16(19)5-4-8-21(20,24)18(23)25-3/h4,7-8,10,12,14-16,24H,5-6,9,11H2,1-3H3/t14-,15+,16-,19+,20-,21-/m1/s1
InChIKey: InChIKey=WWNYZTBMVRRLJM-PLVDSEAXSA-N
Formula: C21H26O6
Molecular Weight: 374.428343
Exact Mass: 374.172939
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Palmeira, S.F., Conserva, L.M., Silveira, E.R. J Braz Chem Soc (2005) 16, 1420-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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 (CH2) | 19.1 |
| 2 (CH) | 131.4 |
| 3 (CH) | 129.7 |
| 4 (C) | 82.1 |
| 5 (C) | 41.9 |
| 6 (CH2) | 29.8 |
| 7 (CH2) | 24.4 |
| 8 (CH) | 46.2 |
| 9 (C) | 36.8 |
| 10 (CH) | 46.1 |
| 11 (CH2) | 50.2 |
| 12 (CH) | 71.2 |
| 13 (C) | 125.2 |
| 14 (CH) | 109.9 |
| 15 (CH) | 144.9 |
| 16 (CH) | 141 |
| 17 (C) | 175.3 |
| 18 (C) | 177.3 |
| 19 (CH3) | 16.1 |
| 20 (CH3) | 25.8 |
| 18a (CH3) | 54.8 |
