Account Sodium (2S,3S,4S,5R,6R)-6-(((1S,E)-3-(2-((1R,7aR,E)-1-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate
- Catalog No. :
- ACHLZY831
- CAS No. :
- 85701-30-0
- Molecular Formula :
- C34H51NaO7
- Molecular Weight :
- 594.77
IUPAC Name:sodium (2S,3S,4S,5R,6R)-6-(((1S,E)-3-(2-((1R,7aR,E)-1-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate
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Product Information
| Product Name | Sodium (2S,3S,4S,5R,6R)-6-(((1S,E)-3-(2-((1R,7aR,E)-1-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate |
|---|---|
| IUPAC Name | sodium (2S,3S,4S,5R,6R)-6-(((1S,E)-3-(2-((1R,7aR,E)-1-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate |
| Molecular Formula | C34H51NaO7 |
| Molecular Weight | 594.77 |
| SMILES | C=C1CC[C@H](O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)C/C1=C\C=C1/CCC[C@@]2(C)C1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C.[Na+] |
| InChI Key | KZPUZRVSBMCROQ-RCVDJPBUSA-M |
| Synonym | (3β,5Z,7E,22E)-9,10-Secoergosta-5,7,10(19),22-tetraen-3-yl β-D-Glucopyranosiduronic Acid MonosodiuM Salt;(2S,3S,4S,5R,6R)-6-[(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-3,4,5-trihydroxyoxane-2-carboxylate;Vitamin D2 β-D-Glucuronide Sodium Salt;Vitamin D2 β-D-Glucuronide Sodium Salt, CAS 85701-30-0 |
| CAS No. | 85701-30-0 |
Synthetic Route by SureRoute
2. ACHLZY831 Molecular Building Block Synthetic Route
(2S,3S,4S,5R,6R)-6-(((S,Z)-3-(2-((1R,3aS,7aR,E)-1-((2R,5R,E)-5,6-Dimethylhept-3-en-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(((1S,Z)-3-(2-((1R,7aR,E)-7a-methyl-1-((R)-6-methylheptan-2-yl)octahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexyl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
Simvastatin Acyl-β-D-glucuronide