Account (1S,6S,7S,7aS)-4-(Acetoxymethyl)-7-(chloromethyl)-7-hydroxy-1,6,7,7a-tetrahydrocyclopenta[c]pyran-1,6-diyl bis(3-methylbutanoate)
- Catalog No. :
- ACHVGR251
- CAS No. :
- 51771-49-4
- Molecular Formula :
- C22H31ClO8
- Molecular Weight :
- 458.93
IUPAC Name:(1S,6S,7S,7aS)-4-(acetoxymethyl)-7-(chloromethyl)-7-hydroxy-1,6,7,7a-tetrahydrocyclopenta[c]pyran-1,6-diyl bis(3-methylbutanoate)
![(1S,6S,7S,7aS)-4-(Acetoxymethyl)-7-(chloromethyl)-7-hydroxy-1,6,7,7a-tetrahydrocyclopenta[c]pyran-1,6-diyl bis(3-methylbutanoate) structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (1S,6S,7S,7aS)-4-(Acetoxymethyl)-7-(chloromethyl)-7-hydroxy-1,6,7,7a-tetrahydrocyclopenta[c]pyran-1,6-diyl bis(3-methylbutanoate) |
|---|---|
| IUPAC Name | (1S,6S,7S,7aS)-4-(acetoxymethyl)-7-(chloromethyl)-7-hydroxy-1,6,7,7a-tetrahydrocyclopenta[c]pyran-1,6-diyl bis(3-methylbutanoate) |
| Molecular Formula | C22H31ClO8 |
| Molecular Weight | 458.93 |
| SMILES | ClC[C@@]1([C@](C2=C[C@@H]1OC(CC(C)C)=O)([C@H](OC(CC(C)C)=O)OC=C2COC(C)=O)[H])O |
| InChI Key | HHVCVAIASNFMBE-KVJIRVJXSA-N |
| Synonym | valechlorine;Valtrate chlorohydrin;Valechlorine Chloride;Valechlorin;Butanoic acid, 3-methyl-, 1,1'-[(1S,6S,7S,7aS)-4-[(acetyloxy)methyl]-7-(chloromethyl)-1,6,7,7a-tetrahydro-7-hydroxycyclopenta[c]pyran-1,6-diyl] ester;valechlorine USP/EP/BP |
| CAS No. | 51771-49-4 |
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. ACHVGR251 Molecular Building Block Synthetic Route
Valeriandoid B
(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)