Spektraris NMR
Methyl ent-12β-Acetoxy-15-kauren-19-oate
Common Name: Methyl ent-12β-Acetoxy-15-kauren-19-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H34O4/c1-14-12-23-10-7-18-21(3,8-6-9-22(18,4)20(25)26-5)19(23)11-17(16(14)13-23)27-15(2)24/h12,16-19H,6-11,13H2,1-5H3/t16?,17-,18-,19-,21+,22+,23+/m0/s1
InChIKey: InChIKey=APKLREKCWOJZOX-DSHXXCSWSA-N
Formula: C23H34O4
Molecular Weight: 374.514531
Exact Mass: 374.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gaspar-Marques, C., Simoes, M.F., Duarte, A., Rodriguez, B. J Nat Prod (2003) 66, 491-6
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) | 40.53 |
| 2 (CH2) | 18.98 |
| 3 (CH2) | 38.02 |
| 4 (C) | 43.9 |
| 5 (CH) | 56.61 |
| 6 (CH2) | 20.69 |
| 7 (CH2) | 39.08 |
| 8 (C) | 48.02 |
| 9 (CH) | 48.17 |
| 10 (C) | 38.24 |
| 11 (CH2) | 25.18 |
| 12 (CH) | 69.29 |
| 13 (CH) | 49.14 |
| 14 (CH2) | 37.5 |
| 15 (CH) | 138.32 |
| 16 (C) | 141.2 |
| 17 (CH3) | 15.62 |
| 18 (CH3) | 28.79 |
| 19 (C) | 178.02 |
| 20 (CH3) | 13.26 |
| 12a (C) | 170.7 |
| 12b (CH3) | 21.6 |
| 19a (CH3) | 51.16 |
