Spektraris NMR
Bafoudiosbulbin C
Common Name: Bafoudiosbulbin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H22O7/c1-19-9-14(11-3-6-25-10-11)27-17(23)21(19)5-4-20-13(16(22)24-2)7-12(8-15(19)20)26-18(20)28-21/h3,6-7,10,12,14-15,18H,4-5,8-9H2,1-2H3/t12-,14-,15-,18?,19-,20-,21+/m0/s1
InChIKey: InChIKey=RGDBZDOPISKAIW-JXYMQOCVSA-N
Formula: C21H22O7
Molecular Weight: 386.395985
Exact Mass: 386.136553
NMR Solvent: CD3OD
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) | 29.4 |
| 2 (CH) | 68.3 |
| 3 (CH) | 144.3 |
| 4 (C) | 135.6 |
| 5 (C) | 44.9 |
| 6 (CH2) | 28 |
| 7 (CH2) | 29.5 |
| 8 (C) | 77 |
| 9 (C) | 41.5 |
| 10 (CH) | 38.9 |
| 11 (CH2) | 36.2 |
| 12 (CH) | 73.3 |
| 13 (C) | 127.2 |
| 14 (CH) | 110.1 |
| 15 (CH) | 145.3 |
| 16 (CH) | 141.8 |
| 17 (C) | 175.2 |
| 18 (C) | 167.2 |
| 19 (CH) | 101.3 |
| 20 (CH3) | 18 |
| 18a (CH3) | 52.6 |
