Spektraris NMR
ent-18-Acetoxy-11a -hydroxykaur-16-en-15-one
Common Name: ent-18-Acetoxy-11a -hydroxykaur-16-en-15-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O4/c1-13-15-10-16(24)18-21(4)8-5-7-20(3,12-26-14(2)23)17(21)6-9-22(18,11-15)19(13)25/h15-18,24H,1,5-12H2,2-4H3/t15-,16+,17-,18+,20-,21-,22-/m1/s1
InChIKey: InChIKey=BNDIEBQEHNGNLK-XUHPIZGLSA-N
Formula: C22H32O4
Molecular Weight: 360.487914
Exact Mass: 360.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Phan, M.G., Phan, T.S., Hamada, Y., Otsuka, H. Chem Pharm Bull (2005) 53, 296-300
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) | 38.9 |
| 2 (CH2) | 17.6 |
| 3 (CH2) | 35.5 |
| 4 (C) | 36.5 |
| 5 (CH) | 48.8 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 33.2 |
| 8 (C) | 50.4 |
| 9 (CH) | 64.1 |
| 10 (C) | 38.6 |
| 11 (CH) | 66.1 |
| 12 (CH2) | 41.3 |
| 13 (CH) | 36.6 |
| 14 (CH2) | 36.8 |
| 15 (C) | 209.6 |
| 16 (C) | 150.2 |
| 17 (CH2) | 113.1 |
| 18 (CH2) | 72.3 |
| 19 (CH3) | 17.5 |
| 20 (CH3) | 17.9 |
| 18a (C) | 171.4 |
| 18b (CH3) | 21.1 |
