Spektraris NMR
16cα,17-Epoxy-19-acetoxy-ent-kaurane
Common Name: 16cα,17-Epoxy-19-acetoxy-ent-kaurane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O3/c1-15(23)24-13-19(2)8-4-9-20(3)17(19)7-10-21-11-16(5-6-18(20)21)22(12-21)14-25-22/h16-18H,4-14H2,1-3H3/t16-,17-,18+,19+,20-,21+,22+/m1/s1
InChIKey: InChIKey=XTAIGPHIYNUEQT-YDIRQPIJSA-N
Formula: C22H34O3
Molecular Weight: 346.50439
Exact Mass: 346.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Aljancic, I., Macura, S., Juranic, N., Andjelkovic, S., Randjelovic, N., Milosavljevic, S. Phytochemistry (1996) 43, 169-71
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) | 40.4 |
| 2 (CH2) | 18.2 |
| 3 (CH2) | 36.4 |
| 4 (C) | 37.1 |
| 5 (CH) | 56.8 |
| 6 (CH2) | 20.4 |
| 7 (CH2) | 41.4 |
| 8 (C) | 45.3 |
| 9 (CH) | 56.1 |
| 10 (C) | 39.6 |
| 11 (CH2) | 19.4 |
| 12 (CH2) | 29.1 |
| 13 (CH) | 42.7 |
| 14 (CH2) | 38.4 |
| 15 (CH2) | 48.8 |
| 16 (C) | 66.4 |
| 17 (CH2) | 50.5 |
| 18 (CH3) | 27.6 |
| 19 (CH2) | 67.2 |
| 20 (CH3) | 18 |
| 19a (C) | 171.5 |
| 19b (CH3) | 21.1 |
