Spektraris NMR
Adenolin D
Common Name: Adenolin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H34O7/c1-12(24)30-15-8-13-9-22(18(25)14(13)10-28-4)16(15)21-7-5-6-20(2,3)17(21)19(26)23(22,27)29-11-21/h13-17,19,26-27H,5-11H2,1-4H3/t13-,14-,15-,16+,17-,19+,21-,22+,23+/m1/s1
InChIKey: InChIKey=VVSBOWDVUWUVCK-TXUOFCGKSA-N
Formula: C23H34O7
Molecular Weight: 422.512746
Exact Mass: 422.230453
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, W.W., Li, B.G., Chen, Y.Z. Phytochemistry (1998) 49, 2433-5
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) | 30.1 |
| 2 (CH2) | 18.5 |
| 3 (CH2) | 41.3 |
| 4 (C) | 33.8 |
| 5 (CH) | 61.2 |
| 6 (CH) | 74.5 |
| 7 (C) | 95.7 |
| 8 (C) | 60.1 |
| 9 (CH) | 53 |
| 10 (C) | 37 |
| 11 (CH) | 68.6 |
| 12 (CH2) | 28.3 |
| 13 (CH) | 28.9 |
| 14 (CH2) | 29.4 |
| 15 (C) | 222.9 |
| 16 (CH) | 57.1 |
| 17 (CH2) | 68.9 |
| 18 (CH3) | 34 |
| 19 (CH3) | 22.6 |
| 20 (CH2) | 68.3 |
| 11a (C) | 169.6 |
| 11b (CH3) | 21.5 |
| 17a (CH3) | 58.6 |
