Spektraris NMR
Bafoudiosbulbin D
Common Name: Bafoudiosbulbin D
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-KQWWTCFSSA-N
Formula: C21H22O8
Molecular Weight: 402.39539
Exact Mass: 402.131468
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) | 26.6 |
| 2 (CH) | 74 |
| 3 (CH2) | 30.1 |
| 4 (CH) | 41.8 |
| 5 (C) | 46.5 |
| 6 (CH) | 74.8 |
| 7 (CH2) | 33.3 |
| 8 (C) | 87.8 |
| 9 (C) | 45.5 |
| 10 (CH) | 40.1 |
| 11 (CH2) | 43.4 |
| 12 (CH) | 75.1 |
| 13 (C) | 124.6 |
| 14 (CH) | 110.1 |
| 15 (CH) | 143.3 |
| 16 (CH) | 141.5 |
| 17 (C) | 176.3 |
| 18 (C) | 172.1 |
| 19 (C) | 172 |
| 20 (CH3) | 17.6 |
| 18a (CH3) | 53 |
