Spektraris NMR
Bonducellpin F
Common Name: Bonducellpin F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O6/c1-11-13-7-9-27-15(13)10-14-17(11)18(28-12(2)23)19(25)22(26)20(3,4)8-6-16(24)21(14,22)5/h7,9,14,17-19,25-26H,1,6,8,10H2,2-5H3/t14-,17-,18+,19-,21-,22+/m0/s1
InChIKey: InChIKey=XKTJWVAVUXZAPA-ISSLHIBUSA-N
Formula: C22H28O6
Molecular Weight: 388.45496
Exact Mass: 388.188589
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pudhom, K., Sommit, D., Suwankitti, N., Petsom, A. J Nat Prod (2007) 70, 1542-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Vouacapanes; 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 (C) | 213.3 |
| 2 (CH2) | 35.6 |
| 3 (CH2) | 38 |
| 4 (C) | 38.8 |
| 5 (C) | 81.6 |
| 6 (CH) | 74.9 |
| 7 (CH) | 78.3 |
| 8 (CH) | 41.6 |
| 9 (CH) | 39.2 |
| 10 (C) | 54 |
| 11 (CH2) | 26 |
| 12 (C) | 152.4 |
| 13 (C) | 118.8 |
| 14 (C) | 139.1 |
| 15 (CH) | 106.3 |
| 16 (CH) | 141.6 |
| 17 (CH2) | 104.2 |
| 18 (CH3) | 28.9 |
| 19 (CH3) | 27.1 |
| 20 (CH3) | 15.6 |
| 7a (C) | 174.8 |
| 7b (CH3) | 21.5 |
