Spektraris NMR
ent-3α-hydroxy-16-kauren-15-one
Common Name: ent-3α-hydroxy-16-kauren-15-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-12-13-5-6-15-19(4)9-8-16(21)18(2,3)14(19)7-10-20(15,11-13)17(12)22/h13-16,21H,1,5-11H2,2-4H3/t13-,14-,15+,16+,19-,20-/m1/s1
InChIKey: InChIKey=DJXDNTHKXUFZMG-KYMCYIMRSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Buchanan, M.S., Connolly, J.D., Kadir, A.A., Rycroft, D.S. Phytochemistry (1996) 42, 1641-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 32.5 |
| 2 (CH2) | 25 |
| 3 (CH) | 75.8 |
| 4 (C) | 37.5 |
| 5 (CH) | 48.1 |
| 6 (CH2) | 18.1 |
| 7 (CH2) | 32.4 |
| 8 (C) | 52.4 |
| 9 (CH) | 52.2 |
| 10 (C) | 39.8 |
| 11 (CH2) | 18.1 |
| 12 (CH2) | 33.4 |
| 13 (CH) | 38.1 |
| 14 (CH2) | 36.6 |
| 15 (C) | 209.3 |
| 16 (C) | 149.5 |
| 17 (CH2) | 114.4 |
| 18 (CH3) | 28.4 |
| 19 (CH3) | 22 |
| 20 (CH3) | 17.3 |
