Spektraris NMR
(3S,5S,6R,9R)-3-hydroxy-5,6-epoxy-b-ionol-9-O-b-glucopyranoside
Common Name: (3S,5S,6R,9R)-3-hydroxy-5,6-epoxy-b-ionol-9-O-b-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+/t10-,11+,12-,13-,14+,15-,16-,18+,19-/m1/s1
InChIKey: InChIKey=RIUMIKAUMHZQMP-IQUVFKTMSA-N
Formula: C19H32O8
Molecular Weight: 388.453326
Exact Mass: 388.209718
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kamel, M.S., Mohamed, K.M., Hassanean, H.A., Ohtani, K., Kasai, R., Yamasaki, K. Phytochemistry (2000) 55, 353-7
Species:
Notes: Family : Terpenoids, Type : Miscellanea, Group : Megastigmanes; 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 (C) | 35 |
| 2 (CH2) | 47.9 |
| 3 (CH) | 63.1 |
| 4 (CH2) | 41.7 |
| 5 (C) | 66.5 |
| 6 (C) | 69.6 |
| 7 (CH) | 126.8 |
| 8 (CH) | 136.4 |
| 9 (CH) | 75.3 |
| 10 (CH3) | 20.8 |
| 11 (CH3) | 20.2 |
| 12 (CH3) | 25.2 |
| 13 (CH3) | 29.7 |
| 1' (CH) | 102.6 |
| 2' (CH) | 75.2 |
| 3' (CH) | 78.4 |
| 4' (CH) | 71.4 |
| 5' (CH) | 78.3 |
| 6' (CH2) | 62.6 |
