Spektraris NMR
14a-Acetoxy-ent-kauran-15-one
Common Name: 14a-Acetoxy-ent-kauran-15-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O3/c1-13-15-7-8-17-21(5)11-6-10-20(3,4)16(21)9-12-22(17,18(13)24)19(15)25-14(2)23/h13,15-17,19H,6-12H2,1-5H3/t13-,15+,16-,17+,19+,21-,22-/m1/s1
InChIKey: InChIKey=YAUWOFGQFXEDMJ-JOKMKEJSSA-N
Formula: C22H34O3
Molecular Weight: 346.50439
Exact Mass: 346.250795
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Abad, A., Agullo, C., Cunat, A.C., Marzal, I.D., Navarto, I., Gris, A. Tetrahedron (2006) 62, 3266-83
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) | 40.17 |
| 2 (CH2) | 18.8 |
| 3 (CH2) | 41.84 |
| 4 (C) | 33.21 |
| 5 (CH) | 55.58 |
| 6 (CH2) | 18.62 |
| 7 (CH2) | 32.85 |
| 8 (C) | 53.8 |
| 9 (CH) | 52.68 |
| 10 (C) | 38.75 |
| 11 (CH2) | 16.55 |
| 12 (CH2) | 18.86 |
| 13 (CH) | 36.76 |
| 14 (CH) | 79.43 |
| 15 (C) | 218.8 |
| 16 (CH) | 45.6 |
| 17 (CH3) | 9.58 |
| 18 (CH3) | 33.31 |
| 19 (CH3) | 21.45 |
| 20 (CH3) | 16.46 |
| 14a (C) | 170.41 |
| 14b (CH3) | 21.56 |
