Account 4-(((S,Z)-3-(2-((1R,3aS,7aR,E)-1-((R)-6-Hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexyl)oxy)-4-oxobutanoic acid
- Catalog No. :
- ACGHBS249
- CAS No. :
- 69511-19-9
- Molecular Formula :
- C31H48O5
- Molecular Weight :
- 500.72
IUPAC Name:4-(((S,Z)-3-(2-((1R,3aS,7aR,E)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexyl)oxy)-4-oxobutanoic acid
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Product Information
| Product Name | 4-(((S,Z)-3-(2-((1R,3aS,7aR,E)-1-((R)-6-Hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexyl)oxy)-4-oxobutanoic acid |
|---|---|
| IUPAC Name | 4-(((S,Z)-3-(2-((1R,3aS,7aR,E)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexyl)oxy)-4-oxobutanoic acid |
| Molecular Formula | C31H48O5 |
| Molecular Weight | 500.72 |
| SMILES | O=C(O)CCC(O[C@@H]1C/C(C(CC1)=C)=C/C=C2[C@]3([H])CC[C@H]([C@@H](CCCC(C)(O)C)C)[C@@]3(C)CCC/2)=O |
| InChI Key | XYAOPXNVLMIXNI-BPMXTZFCSA-N |
| Synonym | (3β,5Z,7E)- 3-(Hydrogen Butanedioate)-9,10-Secocholesta-5,7,10(19)-triene-3,25-diol | 25-Hydroxycholecalciferol-3-hemisuccinate | Calcidiol 3-Hemisuccinate |
| CAS No. | 69511-19-9 |
| PubChem CID | 131667971 |
Safety Data
- Pictogram
- Signal Word
- Danger
- Hazard Statement(s)
- H301-H330-H372
- Precautionary Statement(s)
- P260-P264-P270-P271-P280-P284-P301+P310+P330-P302+P352+P312-P304+P340+P310-P314-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACGHBS249 Molecular Building Block Synthetic Route
4-(((S,Z)-3-((E)-2-((1R,3aS,7aR)-1-((2R,5S,E)-6-Hydroxy-5,6-dimethylhept-3-en-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-4-methylenecyclohexyl)oxy)-4-oxobutanoic acid
(S,Z)-3-(2-((1R,3aS,7aR,E)-7a-methyl-1-((R)-6-methylheptan-2-yl)octahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexyl butyrate
3-O-(2-Aminoethyl)-25-hydroxyvitamin D3