Spektraris NMR
Bafoudiosbulbin E
Common Name: Bafoudiosbulbin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H20O9/c1-18-6-11(9-3-4-26-8-9)29-19(18)7-13(28-15(19)22)20-12(18)5-10(27-16(20)23)14-21(20,30-14)17(24)25-2/h3-4,8,10-14H,5-7H2,1-2H3/t10-,11-,12+,13-,14-,18+,19+,20-,21+/m1/s1
InChIKey: InChIKey=FZLCCQVZOOLAJI-RSFBKVRESA-N
Formula: C21H20O9
Molecular Weight: 416.378913
Exact Mass: 416.110732
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Teponna, R.B., Tapondjou, A.L., Ju-Jung, H., Nam, J.H., Tane, P., Park, H.J. Helv Chim Acta (2007) 90, 1599-605
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) | 23.4 |
| 2 (CH) | 68.7 |
| 3 (CH) | 56.2 |
| 4 (C) | 53.2 |
| 5 (C) | 50.7 |
| 6 (CH) | 73.2 |
| 7 (CH2) | 33.6 |
| 8 (C) | 87.4 |
| 9 (C) | 45.4 |
| 10 (CH) | 40.3 |
| 11 (CH2) | 43.3 |
| 12 (CH) | 74.9 |
| 13 (C) | 124.5 |
| 14 (CH) | 109.9 |
| 15 (CH) | 143.5 |
| 16 (CH) | 141.4 |
| 17 (C) | 175.9 |
| 18 (C) | 165.9 |
| 19 (C) | 164.9 |
| 20 (CH3) | 17.9 |
| 18a (CH3) | 53.8 |
