Spektraris NMR
ent-18-Acetoxy-3b,7a,17-trihydroxy-15b,16b-epoxykaurane
Common Name: ent-18-Acetoxy-3b,7a,17-trihydroxy-15b,16b-epoxykaurane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O6/c1-12(24)27-11-20(3)15-8-17(26)21-9-13(22(10-23)18(21)28-22)4-5-14(21)19(15,2)7-6-16(20)25/h13-18,23,25-26H,4-11H2,1-3H3/t13-,14+,15+,16-,17+,18-,19+,20-,21-,22+/m1/s1
InChIKey: InChIKey=RZWRJIIJVUJQGK-CSGYJLRUSA-N
Formula: C22H34O6
Molecular Weight: 394.502605
Exact Mass: 394.235539
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) | 38.4 |
| 2 (CH2) | 26.4 |
| 3 (CH) | 72.2 |
| 4 (C) | 42 |
| 5 (CH) | 37.9 |
| 6 (CH2) | 26.8 |
| 7 (CH) | 71.4 |
| 8 (C) | 47.3 |
| 9 (CH) | 45.4 |
| 10 (C) | 38.8 |
| 11 (CH2) | 17.8 |
| 12 (CH2) | 27 |
| 13 (CH) | 35.7 |
| 14 (CH2) | 30.9 |
| 15 (CH) | 61.3 |
| 16 (C) | 65.7 |
| 17 (CH2) | 59.1 |
| 18 (CH2) | 66.1 |
| 19 (CH3) | 11.9 |
| 20 (CH3) | 17.9 |
| 18a (C) | 172 |
| 18b (CH3) | 21.2 |
