Spektraris NMR
12-O-β-D-Glucopyranosyl-9,12-dihydroxytremetone
Common Name: 12-O-β-D-Glucopyranosyl-9,12-dihydroxytremetone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H24O9/c1-8(7-26-19-17(25)16(24)15(23)13(6-20)28-19)18-14(22)11-5-10(9(2)21)3-4-12(11)27-18/h3-5,13-20,22-25H,1,6-7H2,2H3/t13-,14+,15-,16+,17-,18+,19-/m1/s1
InChIKey: InChIKey=HUIKZEJYJIMIBW-XJBBOAPUSA-N
Formula: C19H24O9
Molecular Weight: 396.389204
Exact Mass: 396.142032
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gongora, L., Manez, S., Giner, R.M., Carmen Recio, M., Gray, A.I., Rios, J.L. Phytochemistry (2002) 59, 857-60
Species:
Notes: Family : Benzofuranoids; 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 |
|---|---|
| 2 (CH) | 88.4 |
| 3 (CH) | 70.2 |
| 4 (CH) | 131.7 |
| 5 (C) | 131.1 |
| 6 (CH) | 127.3 |
| 7 (CH) | 110.1 |
| 8 (C) | 163.3 |
| 9 (C) | 130.9 |
| 1' (CH) | 103.1 |
| 2' (CH) | 73.8 |
| 3' (CH) | 76.8 |
| 4' (CH) | 70.5 |
| 5' (CH) | 77.2 |
| 6' (CH2) | 61.2 |
| 2a (C) | 140.7 |
| 2b (CH2) | 69.7 |
| 2c (CH2) | 113.4 |
| 5a (C) | 196.4 |
| 5b (CH3) | 26.8 |
