Spektraris NMR
Bafoudiosbulbin A
Common Name: Bafoudiosbulbin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H22O8/c1-19-7-13(10-3-4-26-9-10)29-20(19)8-15(28-17(20)23)21-12(16(22)25-2)5-11(6-14(19)21)27-18(21)24/h3-4,9,11-15H,5-8H2,1-2H3/t11-,12-,13+,14-,15-,19-,20+,21+/m0/s1
InChIKey: InChIKey=PBNLXMJXIOMYPT-INZVWIIYSA-N
Formula: C21H22O8
Molecular Weight: 402.39539
Exact Mass: 402.131468
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Teponno, R.B., Tapondjou, A.L., Gatsing, D., Djoukeng, J.D., Abou-Mansour, E., Tabacchi, R., Tane, P., Stoekli-Evans, H., Lontsi, D. Phytochemistry (2006) 67, 1957-63
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) | 27.5 |
| 2 (CH) | 74.3 |
| 3 (CH2) | 31 |
| 4 (CH) | 39.5 |
| 5 (C) | 46.2 |
| 6 (CH) | 75 |
| 7 (CH2) | 32.6 |
| 8 (C) | 88.9 |
| 9 (C) | 46.6 |
| 10 (CH) | 38.8 |
| 11 (CH2) | 43.9 |
| 12 (CH) | 75 |
| 13 (C) | 126.4 |
| 14 (CH) | 111.2 |
| 15 (CH) | 143.9 |
| 16 (CH) | 141.9 |
| 17 (C) | 177.4 |
| 18 (C) | 173.2 |
| 19 (C) | 171 |
| 20 (CH3) | 18.7 |
| 18a (CH3) | 53.3 |
