Spektraris NMR
3-Angeloyloxy-8-epoxyangeloyloxy-10(14)-oplopen-4-one
Common Name: 3-Angeloyloxy-8-epoxyangeloyloxy-10(14)-oplopen-4-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O6/c1-9-13(4)23(27)29-19-11-17-14(5)10-18(30-24(28)25(8)16(7)31-25)20(12(2)3)22(17)21(19)15(6)26/h9,12,16-22H,5,10-11H2,1-4,6-8H3/b13-9-/t16-,17-,18+,19-,20+,21-,22+,25-/m0/s1
InChIKey: InChIKey=MUOZMUCRIJJEQD-ZGVHUTQJSA-N
Formula: C25H36O6
Molecular Weight: 432.550694
Exact Mass: 432.251189
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Arciniegas, A., Perez-Castorena, A.L., Reyes, S., Contreras, J.L., De Vivar, A.R. J Nat Prod (2003) 66, 225-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Oplopanes; 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 (CH) | 47.9 |
| 2 (CH2) | 34.9 |
| 3 (CH) | 73.8 |
| 4 (C) | 205.5 |
| 5 (CH) | 57.9 |
| 6 (CH) | 45.6 |
| 7 (CH) | 51.7 |
| 8 (CH) | 72.3 |
| 9 (CH2) | 40.5 |
| 10 (C) | 144.3 |
| 11 (CH) | 29.3 |
| 12 (CH3) | 22.7 |
| 13 (CH3) | 19.1 |
| 14 (CH2) | 107.9 |
| 15 (CH3) | 31.7 |
| 3a (C) | 167.3 |
| 3b (C) | 127.2 |
| 3c (CH) | 139.5 |
| 3d (CH3) | 15.7 |
| 3e (CH3) | 20.3 |
| 8a (C) | 168.9 |
| 8b (C) | 59.8 |
| 8c (CH) | 59.9 |
| 8d (CH3) | 13.7 |
| 8e (CH3) | 19.1 |
