Spektraris NMR
5-Hydroxy-3-[3-methoxy-4-[6-O-(D-apio-beta-D-furanosyl)-beta-D-glucopyranosyloxy]phenyl]-7-methoxy-4H-1-benzopyran-4-one
![5-Hydroxy-3-[3-methoxy-4-[6-O-(D-apio-beta-D-furanosyl)-beta-D-glucopyranosyloxy]phenyl]-7-methoxy-4H-1-benzopyran-4-one](/nmr/static/nmr/svg/18821.svg)
Common Name: 5-Hydroxy-3-[3-methoxy-4-[6-O-(D-apio-beta-D-furanosyl)-beta-D-glucopyranosyloxy]phenyl]-7-methoxy-4H-1-benzopyran-4-one
Synonyms: 5-Hydroxy-3-[3-methoxy-4-[6-O-(D-apio-beta-D-furanosyl)-beta-D-glucopyranosyloxy]phenyl]-7-methoxy-4H-1-benzopyran-4-one
CAS Registry Number:
InChI: InChI=1S/C28H32O15/c1-37-13-6-15(30)20-18(7-13)39-8-14(21(20)31)12-3-4-16(17(5-12)38-2)42-26-24(34)23(33)22(32)19(43-26)9-40-27-25(35)28(36,10-29)11-41-27/h3-8,19,22-27,29-30,32-36H,9-11H2,1-2H3/t19-,22-,23+,24-,25+,26-,27-,28-/m1/s1
InChIKey: InChIKey=XJIVHUCLIXWULJ-IDLDXROJSA-N
Formula: C28H32O15
Molecular Weight: 608.545783
Exact Mass: 608.17412
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Wang, J., Yang, X., Di, Y., Wang, Y., Shen, Y., Hao, X. J Nat Prod (2006) 69, 778-82
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavones; 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) | 154.3 |
| 3 (C) | 123.6 |
| 4 (C) | 181.2 |
| 5 (C) | 163.3 |
| 6 (CH) | 98.8 |
| 7 (C) | 166.1 |
| 8 (CH) | 92.8 |
| 9 (C) | 158.3 |
| 10 (C) | 106.8 |
| 1' (C) | 125.6 |
| 2' (CH) | 114.4 |
| 3' (C) | 149.9 |
| 4' (C) | 148.4 |
| 5' (CH) | 117.2 |
| 6' (CH) | 122.2 |
| 1'' (CH) | 102.6 |
| 2'' (CH) | 74.9 |
| 3'' (CH) | 77.9 |
| 4'' (CH) | 71.8 |
| 5'' (CH) | 77.5 |
| 6'' (CH2) | 69.1 |
| 1''' (CH) | 111.3 |
| 2''' (CH) | 78.6 |
| 3''' (C) | 80.4 |
| 4''' (CH2) | 75.1 |
| 5''' (CH2) | 65.6 |
| 7a (CH3) | 56.1 |
| 3'a (CH3) | 56.1 |
