Spektraris NMR
Leucosesterterpenone
Common Name: Leucosesterterpenone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O7/c1-12-10-23(29)24(30,22(28)15(4)8-18-19(26)9-14(3)21(18)27)20-13(2)6-7-17(20)16(5)25(23,31)32-11-12/h9-10,13,15-20,26,29-31H,6-8,11H2,1-5H3/t13-,15+,16-,17-,18+,19-,20+,23-,24-,25-/m1/s1
InChIKey: InChIKey=WREVESBXGFRQJD-PHRJMFLCSA-N
Formula: C25H36O7
Molecular Weight: 448.550099
Exact Mass: 448.246104
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Choudhary, M.I., R.Ranjit, Atta ur, R., Hussain, S., Devkota, K.P., Shrestha, T.M., Parvez, M. Org Lett (2004) 6, 4139-42
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) | 137.2 |
| 3 (CH) | 121.5 |
| 4 (C) | 73.2 |
| 5 (C) | 96.9 |
| 6 (CH) | 41.9 |
| 7 (CH) | 43.3 |
| 8 (CH2) | 33.2 |
| 9 (CH2) | 32.7 |
| 10 (CH) | 31 |
| 11 (CH) | 54.6 |
| 12 (C) | 82.6 |
| 13 (C) | 223.6 |
| 14 (CH) | 40.7 |
| 15 (CH2) | 27.8 |
| 16 (CH) | 53.6 |
| 17 (C) | 206.7 |
| 18 (C) | 142.4 |
| 19 (CH) | 154.8 |
| 20 (CH) | 75.7 |
| 21 (CH3) | 17.5 |
| 22 (CH3) | 10.9 |
| 23 (CH3) | 21.7 |
| 24 (CH3) | 16 |
| 25 (CH3) | 10.1 |
