Spektraris NMR
Helikauranoside A
Common Name: Helikauranoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H42O8/c1-24-7-3-8-25(2,23(32)34-22-21(31)20(30)19(29)16(13-28)33-22)17(24)6-9-26-10-14(4-5-18(24)26)15(11-26)12-27/h14-22,27-31H,3-13H2,1-2H3/t14-,15-,16-,17+,18+,19-,20+,21-,22+,24-,25-,26+/m1/s1
InChIKey: InChIKey=QOIMTTAJJDPFLY-NHRQRQDTSA-N
Formula: C26H42O8
Molecular Weight: 482.607884
Exact Mass: 482.287968
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Macias, F.A., Lopez, A., Varela, R.M., Torres, A., Molinillo, J.M.G. J Chem Ecol (2008) 34, 65-9
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) | 42.1 |
| 2 (CH2) | 20 |
| 3 (CH2) | 39.1 |
| 4 (C) | 45.1 |
| 5 (CH) | 58.8 |
| 6 (CH2) | 23.5 |
| 7 (CH2) | 43 |
| 8 (C) | 45.9 |
| 9 (CH) | 56.9 |
| 10 (C) | 40.9 |
| 11 (CH2) | 20.2 |
| 12 (CH2) | 32.5 |
| 13 (CH) | 39.5 |
| 14 (CH2) | 37.9 |
| 15 (CH2) | 46.3 |
| 16 (CH) | 44.5 |
| 17 (CH2) | 67.7 |
| 18 (CH3) | 29.1 |
| 19 (C) | 178.3 |
| 20 (CH3) | 16.5 |
| 1' (CH) | 95.6 |
| 2' (CH) | 74.1 |
| 3' (CH) | 78.7 |
| 4' (CH) | 71.1 |
| 5' (CH) | 78.7 |
| 6' (CH2) | 62.4 |
