Account Allamandicin
- Catalog No. :
- ACVVNQ643
- CAS No. :
- 51838-83-6
- Molecular Formula :
- C15H16O7
- Molecular Weight :
- 308.29
IUPAC Name:methyl 3-(1-hydroxyethyl)-2-oxo-3,3a,3a1,8-tetrahydro-2H,4aH-1,4,5-trioxadicyclopenta[a,hi]indene-7-carboxylate
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Product Information
| Product Name | Allamandicin |
|---|---|
| IUPAC Name | methyl 3-(1-hydroxyethyl)-2-oxo-3,3a,3a1,8-tetrahydro-2H,4aH-1,4,5-trioxadicyclopenta[a,hi]indene-7-carboxylate |
| MDL No. | MFCD26407423 |
| Molecular Formula | C15H16O7 |
| Molecular Weight | 308.29 |
| SMILES | COC(=O)C1=COC2OC3C(C(C)O)C(=O)OC4=CCC12C43 |
| InChI Key | HNSISNYWPITGKP-UHFFFAOYSA-N |
| Synonym | 3,3a,7a,9b-Tetrahydro-3-(1-hydroxyethyl)-2-oxo-2H,4aH-1,4,5-trioxadicyclopent[a,hi]indene-7-carboxylic acid methyl ester;Allamandicin;NSC 251691;2H,4aH-1,4,5-Trioxadicyclopent[a,hi]indene-7-carboxylic acid, 3,3a,7a,9b-tetrahydro-3-(1-hydroxyethyl)-2-oxo-, methyl ester |
| CAS No. | 51838-83-6 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACVVNQ643 Molecular Building Block Synthetic Route
(3aR,3a1S,4aR,5S,7aS,9aS)-5-ethyl-6-oxo-3a1,4a,5,9a-tetrahydro-3aH,6H-3,4,7-trioxadicyclopenta[a,hi]indene-1-carboxylic acid
6-O-acetylshanzhiside methyl ester
Methyl (1S,4aS,5R,7S,7aS)-7-acetoxy-5-hydroxy-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate