Spektraris NMR
Serpendione
Common Name: Serpendione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H26O4/c1-11(2)14-9-19(23)21(4)10-16-12(3)18(22)8-15(16)13(20(24)25-5)6-7-17(14)21/h6,9,11,15,17H,7-8,10H2,1-5H3/b13-6+/t15-,17-,21-/m1/s1
InChIKey: InChIKey=IKRSVGORANVKEE-GFJBOOSXSA-N
Formula: C21H26O4
Molecular Weight: 342.429533
Exact Mass: 342.183109
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Andriamihaja, B., Martin, M.T., Rasoanaivo, P., Frappier, F. J Nat Prod (2001) 64, 217-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Fusicoccanes; 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) | 52.3 |
| 2 (CH2) | 35.6 |
| 3 (C) | 172.2 |
| 4 (C) | 137.3 |
| 5 (C) | 207.8 |
| 6 (CH2) | 43 |
| 7 (CH) | 44.1 |
| 8 (C) | 134.6 |
| 9 (CH) | 140.9 |
| 10 (CH2) | 29.5 |
| 11 (CH) | 53.9 |
| 12 (C) | 187.6 |
| 13 (CH) | 124.8 |
| 14 (C) | 210.6 |
| 15 (CH3) | 31.1 |
| 16 (CH3) | 9.3 |
| 17 (C) | 167.4 |
| 18 (CH) | 29.2 |
| 19 (CH3) | 20.6 |
| 20 (CH3) | 21.3 |
| 17a (CH3) | 51.8 |
