Spektraris NMR
Scupolin F
Common Name: Scupolin F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O8/c1-5-15(2)20(27)33-18-12-23(4,30)22(3,10-8-16-11-19(26)31-13-16)17-7-6-9-24(14-32-24)25(17,18)21(28)29/h11,15,17-18,30H,5-10,12-14H2,1-4H3,(H,28,29)/t15?,17-,18+,22-,23+,24+,25+/m1/s1
InChIKey: InChIKey=HLXRXKZVYFPPMX-ZPXVEXMISA-N
Formula: C25H36O8
Molecular Weight: 464.549504
Exact Mass: 464.241018
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - de la Torre, M.C., Rodriguez, B., Bruno, M., Vassallo, N., Bondi, M.L., Piozzi, F., Servettaz, O. J Nat Prod (1997) 60, 1229-35
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) | 22.2 |
| 2 (CH2) | 24.7 |
| 3 (CH2) | 33.1 |
| 4 (C) | 64.4 |
| 5 (C) | 55.1 |
| 6 (CH) | 69.3 |
| 7 (CH2) | 40.8 |
| 8 (C) | 77.4 |
| 9 (C) | 42.3 |
| 10 (CH) | 45.5 |
| 11 (CH2) | 34.8 |
| 12 (CH2) | 25.4 |
| 13 (C) | 171.4 |
| 14 (CH) | 114.6 |
| 15 (C) | 174.2 |
| 16 (CH2) | 73.1 |
| 17 (CH3) | 26.3 |
| 18 (CH2) | 51.7 |
| 19 (C) | 171.6 |
| 20 (CH3) | 22.3 |
| 6a (C) | 175 |
| 6b (CH) | 41.4 |
| 6c (CH2) | 26.2 |
| 6d (CH3) | 11.4 |
| 6ba (CH3) | 16.2 |
