Spektraris NMR
19-oxo-inuroyleanol
Common Name: 19-oxo-inuroyleanol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O5/c1-11(2)14-17(24)15-12(23)9-13-20(3,10-22)7-6-8-21(13,4)16(15)18(25)19(14)26-5/h10-11,13,24-25H,6-9H2,1-5H3/t13-,20+,21-/m0/s1
InChIKey: InChIKey=CXSCAIOKAOBDQS-DYXDTQHNSA-N
Formula: C21H28O5
Molecular Weight: 360.44482
Exact Mass: 360.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Araujo, E.C.C., Lima, M.A.S., Nunes, E.P., Silveira, E.R. J Braz Chem Soc (2005) 16, 1336-41
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 35.9 |
| 2 (CH2) | 17.9 |
| 3 (CH2) | 32.3 |
| 4 (C) | 49.8 |
| 5 (CH) | 42.3 |
| 6 (CH2) | 37.8 |
| 7 (C) | 204.5 |
| 8 (C) | 112.7 |
| 9 (C) | 134.1 |
| 10 (C) | 39.4 |
| 11 (C) | 139.1 |
| 12 (C) | 152.7 |
| 13 (C) | 127.1 |
| 14 (C) | 159 |
| 15 (CH) | 26.5 |
| 16 (CH3) | 20.7 |
| 17 (CH3) | 20.6 |
| 18 (CH3) | 14.6 |
| 19 (CH) | 205 |
| 20 (CH3) | 18.7 |
| 12a (CH3) | 62.5 |
