Account 5,8-Dihydroxy-2-(4-hydroxyphenyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-7-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
- Catalog No. :
- ACQCBV139
- CAS No. :
- 909803-26-5
- Molecular Formula :
- C27H30O16
- Molecular Weight :
- 610.52
IUPAC Name:5,8-dihydroxy-2-(4-hydroxyphenyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-7-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
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Product Information
| Product Name | 5,8-Dihydroxy-2-(4-hydroxyphenyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-7-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one |
|---|---|
| IUPAC Name | 5,8-dihydroxy-2-(4-hydroxyphenyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-7-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one |
| Molecular Formula | C27H30O16 |
| Molecular Weight | 610.52 |
| SMILES | O=C1C(O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)=C(C3=CC=C(O)C=C3)OC4=C(O)C(O[C@H]5[C@@H]([C@@H]([C@H]([C@H](C)O5)O)O)O)=CC(O)=C14 |
| InChI Key | QYECIBJZFSVSHH-CPBWYJGASA-N |
| Synonym | Sinocrassoside C1;4H-1-Benzopyran-4-one, 7-[(6-deoxy-α-L-mannopyranosyl)oxy]-3-(β-D-glucopyranosyloxy)-5,8-dihydroxy-2-(4-hydroxyphenyl)-;Sinocrassoside C1,Sinocrassoside C-1;herbacetin 3-O-beta-D-glucopyranosyl-7-O-alpha-L-rhamnopyranoside;5,8-Dihydroxy-2-(4-hydroxyphenyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-7-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one |
| CAS No. | 909803-26-5 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319
- Precautionary Statement(s)
- P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501
Synthetic Route by SureRoute
2. ACQCBV139 Molecular Building Block Synthetic Route
Limocitrin 3,7-diglucoside
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3,8-bis(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-tris(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one