Spektraris NMR
3β-Acetoxy-ent-kaur-16-en-19-ol
Common Name: 3β-Acetoxy-ent-kaur-16-en-19-ol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O3/c1-14-11-22-10-7-17-20(3,18(22)6-5-16(14)12-22)9-8-19(25-15(2)24)21(17,4)13-23/h16-19,23H,1,5-13H2,2-4H3/t16-,17+,18+,19-,20-,21+,22-/m1/s1
InChIKey: InChIKey=GLDAMAHBNUXOJH-FSCQIMEVSA-N
Formula: C22H34O3
Molecular Weight: 346.50439
Exact Mass: 346.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Toyota, M., Nakaishi, E., Asakawa, Y. Phytochemistry (1996) 43, 1057-64
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) | 23.6 |
| 3 (CH) | 83 |
| 4 (C) | 42.6 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 41.2 |
| 8 (C) | 43.9 |
| 9 (CH) | 55.7 |
| 10 (C) | 38.7 |
| 11 (CH2) | 20.3 |
| 12 (CH2) | 33 |
| 13 (CH) | 43.8 |
| 14 (CH2) | 39.5 |
| 15 (CH2) | 48.8 |
| 16 (C) | 155.4 |
| 17 (CH2) | 103.3 |
| 18 (CH3) | 22.4 |
| 19 (CH2) | 63.8 |
| 20 (CH3) | 18 |
| 3a (C) | 169.9 |
| 3b (CH3) | 22.4 |
