Spektraris NMR
3-[[6-O-[5-O-(4-Hydroxy-3-methoxycinnamoyl)-D-apio-beta-D-furanosyl]-beta-D-glucopyranosyl]oxy]-2H-1-benzopyran-2-one
![3-[[6-O-[5-O-(4-Hydroxy-3-methoxycinnamoyl)-D-apio-beta-D-furanosyl]-beta-D-glucopyranosyl]oxy]-2H-1-benzopyran-2-one](/nmr/static/nmr/svg/8700.svg)
Common Name: 3-[[6-O-[5-O-(4-Hydroxy-3-methoxycinnamoyl)-D-apio-beta-D-furanosyl]-beta-D-glucopyranosyl]oxy]-2H-1-benzopyran-2-one
Synonyms: 3-[[6-O-[5-O-(4-Hydroxy-3-methoxycinnamoyl)-D-apio-beta-D-furanosyl]-beta-D-glucopyranosyl]oxy]-2H-1-benzopyran-2-one
CAS Registry Number:
InChI: InChI=1S/C30H32O15/c1-39-19-10-15(6-8-17(19)31)7-9-22(32)41-13-30(38)14-42-29(26(30)36)40-12-21-23(33)24(34)25(35)28(45-21)44-20-11-16-4-2-3-5-18(16)43-27(20)37/h2-11,21,23-26,28-29,31,33-36,38H,12-14H2,1H3/b9-7+/t21-,23-,24+,25-,26+,28-,29-,30-/m1/s1
InChIKey: InChIKey=ZENBBCRWJSGHHJ-HMIYPRRISA-N
Formula: C30H32O15
Molecular Weight: 632.567255
Exact Mass: 632.17412
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Lin, L.J., Lin, L.Z., Ruangrungsi, N., Cordell, G. Phytochemistry (1993) 34, 825-30
Species:
Notes: Family : Chromans, Type : Coumarins, Group : Coumarins; 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 (C) | 159.8 |
| 3 (C) | 142.9 |
| 4 (CH) | 120.8 |
| 5 (CH) | 128.6 |
| 6 (CH) | 126.2 |
| 7 (CH) | 130.5 |
| 8 (CH) | 117 |
| 9 (C) | 151.3 |
| 10 (C) | 120.9 |
| 1' (CH) | 102.4 |
| 2' (CH) | 74.5 |
| 3' (CH) | 77.4 |
| 4' (CH) | 71.4 |
| 5' (CH) | 77.2 |
| 6' (CH2) | 68.5 |
| 1'' (CH) | 110.5 |
| 2'' (CH) | 78.3 |
| 3'' (C) | 78.9 |
| 4'' (CH2) | 75 |
| 5'' (CH2) | 67.3 |
| 1''' (C) | 127.5 |
| 2''' (CH) | 111.7 |
| 3''' (C) | 149.3 |
| 4''' (C) | 150.7 |
| 5''' (CH) | 116.5 |
| 6''' (CH) | 124.2 |
| 7''' (CH) | 147.3 |
| 8''' (CH) | 115 |
| 9''' (C) | 168.8 |
| 3'''a (CH3) | 56.4 |
