Spektraris NMR
ent-18-Acetoxy-3b,7a,17-trihydroxykaur-15-ene
Common Name: ent-18-Acetoxy-3b,7a,17-trihydroxykaur-15-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O5/c1-13(24)27-12-21(3)17-8-19(26)22-9-14(15(10-22)11-23)4-5-16(22)20(17,2)7-6-18(21)25/h10,14,16-19,23,25-26H,4-9,11-12H2,1-3H3/t14-,16+,17+,18-,19+,20+,21-,22-/m1/s1
InChIKey: InChIKey=FRDLKANXGVGBKH-GMPGATECSA-N
Formula: C22H34O5
Molecular Weight: 378.5032
Exact Mass: 378.240624
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) | 41.9 |
| 5 (CH) | 37.8 |
| 6 (CH2) | 26.8 |
| 7 (CH) | 74.4 |
| 8 (C) | 52.8 |
| 9 (CH) | 43.4 |
| 10 (C) | 39.1 |
| 11 (CH2) | 18.4 |
| 12 (CH2) | 25.4 |
| 13 (CH) | 40.9 |
| 14 (CH2) | 42.1 |
| 15 (CH) | 130.6 |
| 16 (C) | 147.3 |
| 17 (CH2) | 61.3 |
| 18 (CH2) | 66 |
| 19 (CH3) | 11.8 |
| 20 (CH3) | 18 |
| 18a (C) | 172 |
| 18b (CH3) | 21.2 |
