Account 4-(((2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6- (hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,5-bis(3-methylbut-2-en-1- yl)benzoic acid
- Catalog No. :
- ACBMPU577
- CAS No. :
- 1445607-23-7
- Molecular Formula :
- C29H42O13
- Molecular Weight :
- 598.64
IUPAC Name:4-(((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,5-bis(3-methylbut-2-en-1-yl)benzoic acid
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Product Information
| Product Name | 4-(((2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6- (hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,5-bis(3-methylbut-2-en-1- yl)benzoic acid |
|---|---|
| IUPAC Name | 4-(((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,5-bis(3-methylbut-2-en-1-yl)benzoic acid |
| Molecular Formula | C29H42O13 |
| Molecular Weight | 598.64 |
| SMILES | O=C(O)C1=CC(CC=C(C)C)=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@H](CO)O2)C(CC=C(C)C)=C1 |
| InChI Key | XJARKNLDHQXMLM-GFPCEMMFSA-N |
| Synonym | Benzoic acid, 4-[(4-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-3,5-bis(3-methyl-2-buten-1-yl)- |
| CAS No. | 1445607-23-7 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACBMPU577 Molecular Building Block Synthetic Route
Cavaol E
2, 4-Dihydroxy-allylbenzene-2-O-β-D-glucopyranoside
1-(4-Methoxy-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)ethan-1-one