Account Valeriandoid B
- Catalog No. :
- ACCXGF814
- CAS No. :
- 1380399-57-4
- Molecular Formula :
- C24H33ClO10
- Molecular Weight :
- 516.97
IUPAC Name:(1S,6S,7S,7aS)-4-(acetoxymethyl)-7-(chloromethyl)-7-hydroxy-1-((3-methylbutanoyl)oxy)-1,6,7,7a-tetrahydrocyclopenta[c]pyran-6-yl 3-acetoxy-3-methylbutanoate
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Product Information
| Product Name | Valeriandoid B |
|---|---|
| IUPAC Name | (1S,6S,7S,7aS)-4-(acetoxymethyl)-7-(chloromethyl)-7-hydroxy-1-((3-methylbutanoyl)oxy)-1,6,7,7a-tetrahydrocyclopenta[c]pyran-6-yl 3-acetoxy-3-methylbutanoate |
| Molecular Formula | C24H33ClO10 |
| Molecular Weight | 516.97 |
| SMILES | CC(C)(OC(C)=O)CC(O[C@H]([C@@]1(CCl)O)C=C2[C@]1([H])[C@H](OC(CC(C)C)=O)OC=C2COC(C)=O)=O |
| InChI Key | LPWTVFWINSHGLS-STCFVSJZSA-N |
| Synonym | Valeriandoid B;Chlorovaltrate M;Butanoic acid, 3-(acetyloxy)-3-methyl-, (1S,6S,7S,7aS)-4-[(acetyloxy)methyl]-7-(chloromethyl)-1,6,7,7a-tetrahydro-7-hydroxy-1-(3-methyl-1-oxobutoxy)cyclopenta[c]pyran-6-yl ester;ChlorovaltrateM/ValeriandoidB |
| CAS No. | 1380399-57-4 |
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. ACCXGF814 Molecular Building Block Synthetic Route
(1S,6S,7S,7aS)-4-(Acetoxymethyl)-7-(chloromethyl)-7-hydroxy-1,6,7,7a-tetrahydrocyclopenta[c]pyran-1,6-diyl bis(3-methylbutanoate)
(1R,6R,7S,7aR)-4-(acetoxymethyl)-7-hydroxy-7-(((3-methylbutanoyl)oxy)methyl)-1,6,7,7a-tetrahydrocyclopenta[c]pyran-1,6-diyl bis(3-methylbutanoate)
(1S,6S,7R,7aS)-4-(acetoxymethyl)-7-hydroxy-7-(methoxymethyl)-1,6,7,7a-tetrahydrocyclopenta[c]pyran-1,6-diyl bis(3-methylbutanoate)