Spektraris NMR
Leucosceptrine
Common Name: Leucosceptrine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O6/c1-13-10-20-24(28,23(27)15(3)7-9-19-16(4)11-21(26)31-19)22-14(2)6-8-18(22)17(5)25(20,29)30-12-13/h10-11,14-15,17-20,22,28-29H,6-9,12H2,1-5H3/t14-,15+,17+,18-,19-,20?,22+,24-,25-/m1/s1
InChIKey: InChIKey=UISWOCATDPPBTH-CYDZJWTQSA-N
Formula: C25H36O6
Molecular Weight: 432.550694
Exact Mass: 432.251189
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Choudhary, M.I., R.Ranjit, Atta ur, R., Shrestha, T.M., Yasin, A., Parvez, M. J Org Chem (2004) 69, 2906-9
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Bicarbocyclics; 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) | 64.6 |
| 2 (C) | 136.9 |
| 3 (CH) | 121.4 |
| 4 (CH) | 73.1 |
| 5 (C) | 96.8 |
| 6 (CH) | 41 |
| 7 (CH) | 43.8 |
| 8 (CH2) | 33 |
| 9 (CH2) | 29.6 |
| 10 (CH) | 31.2 |
| 11 (CH) | 54.8 |
| 12 (C) | 82 |
| 13 (C) | 222 |
| 14 (CH) | 42.4 |
| 15 (CH2) | 27.8 |
| 16 (CH2) | 26.5 |
| 17 (CH) | 84.2 |
| 18 (C) | 167.9 |
| 19 (CH) | 117.2 |
| 20 (C) | 172.9 |
| 21 (CH3) | 17.5 |
| 22 (CH3) | 10 |
| 23 (CH3) | 21.2 |
| 24 (CH3) | 14.5 |
| 25 (CH3) | 13.2 |
