Spektraris NMR
16α,17-Epoxy-3α-acetoxy-ent-kaurane
Common Name: 16α,17-Epoxy-3α-acetoxy-ent-kaurane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O3/c1-14(23)25-18-8-9-20(4)16(19(18,2)3)7-10-21-11-15(5-6-17(20)21)22(12-21)13-24-22/h15-18H,5-13H2,1-4H3/t15-,16-,17+,18-,20-,21+,22+/m1/s1
InChIKey: InChIKey=HQJKVPHKXMCWCU-SKQVIJGQSA-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) | 38.4 |
| 2 (CH2) | 23.6 |
| 3 (CH) | 81 |
| 4 (C) | 37.7 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 19.8 |
| 7 (CH2) | 40.9 |
| 8 (C) | 45.1 |
| 9 (CH) | 55.6 |
| 10 (C) | 38.9 |
| 11 (CH2) | 19.4 |
| 12 (CH2) | 29.1 |
| 13 (CH) | 42.6 |
| 14 (CH2) | 38.5 |
| 15 (CH2) | 48.7 |
| 16 (C) | 66.3 |
| 17 (CH2) | 50.4 |
| 18 (CH3) | 28.3 |
| 19 (CH3) | 16.7 |
| 20 (CH3) | 17.8 |
| 3a (C) | 171 |
| 3b (CH3) | 21.3 |
