Spektraris NMR
ent-7a,18-Dihydroxykaur-16-en-3-one
Common Name: ent-7a,18-Dihydroxykaur-16-en-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-12-9-20-10-13(12)4-5-14(20)18(2)7-6-16(22)19(3,11-21)15(18)8-17(20)23/h13-15,17,21,23H,1,4-11H2,2-3H3/t13-,14+,15+,17+,18+,19-,20+/m1/s1
InChIKey: InChIKey=RTSXHDJXXBECPR-OROXICGFSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ghoumari, H., Benajiba, M.H., Azmani, A., Garcia-Granados, A., Martinez, A., Parra, A., Rivas, F., Socorro, O. Phytochemistry (2005) 66, 1492-8
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) | 38.6 |
| 2 (CH2) | 35.7 |
| 3 (C) | 218.1 |
| 4 (C) | 52 |
| 5 (CH) | 38.6 |
| 6 (CH2) | 28.1 |
| 7 (CH) | 76.7 |
| 8 (C) | 48.2 |
| 9 (CH) | 48.7 |
| 10 (C) | 38.1 |
| 11 (CH2) | 18.3 |
| 12 (CH2) | 33.9 |
| 13 (CH) | 43.7 |
| 14 (CH2) | 38.5 |
| 15 (CH2) | 45.1 |
| 16 (C) | 154.5 |
| 17 (CH2) | 104 |
| 18 (CH2) | 67 |
| 19 (CH3) | 17.6 |
| 20 (CH3) | 16.9 |
