Account (1S,4R,E)-4-((1R,3aS,7aR,E)-4-((E)-2-((3S,5R)-3,5-Bis((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-1-cyclopropylpent-2-en-1-ol
- Catalog No. :
- ACNBIX612
- CAS No. :
- 112849-27-1
- Molecular Formula :
- C39H68O3Si2
- Molecular Weight :
- 641.14
IUPAC Name:-
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Product Information
| Product Name | (1S,4R,E)-4-((1R,3aS,7aR,E)-4-((E)-2-((3S,5R)-3,5-Bis((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-1-cyclopropylpent-2-en-1-ol |
|---|---|
| MDL No. | MFCD09952331 |
| Molecular Formula | C39H68O3Si2 |
| Molecular Weight | 641.14 |
| SMILES | C[C@@H]([C@H]1CC[C@@]2([H])/C(CCC[C@]12C)=C/C=C3C([C@@H](O[Si](C)(C(C)(C)C)C)C[C@H](O[Si](C)(C(C)(C)C)C)C/3)=C)/C=C/[C@H](C4CC4)O |
| InChI Key | DIMYHZDULFSWLS-YFSXTQNDSA-N |
| Synonym | BIS-TBDMS-TRANS-CALCIPOTRIOL;24-Cycloproyply-1,3-bis[[(1,1-dimethylethyl)dimethylsily]oxy]-9,10-secochola-5,7,10(19),22-tetraen-24-ol;Trans-Calcipotriol-bis-TBDMS-ether;Bis-O-(tert-butyldimethylsilyl)-trans-calcipotriol;Cyclopropanemethanol, a-[(1E,3R)-3-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]-1-buten-1-yl]-, (aS)-;(αS)-α-[(1E,3R)-3-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-Bis[[(1,1-diMethylethyl)diMethylsilyl]oxy]-2-Methylenecyclohexylidene]ethylidene]octahydro-7a-Methyl-1H-inden-1-yl]-1-buten-1-yl]cyclopropaneMetha;(1S,4R,E)-4-((1R,3aS,7aR,E)-4-((E)-2-((3S,5R)-3,5-bis(tert-butyldiMethylsilyloxy)-2-Methylenecyclohexylidene)ethylidene)-7a-Methyloctahydro-1H-inden-1-yl)-1-cyclopropylpent-2-en-1-ol;Calcipotriol Impurity 10 |
| CAS No. | 112849-27-1 |
Safety Data
- Pictogram
- Signal Word
- Gefahr
- Hazard Statement(s)
- H310-H317-H361-H372
- Precautionary Statement(s)
- P201-P202-P260-P262-P264-P270-P272-P280-P301+P310+P330-P302+P352+P310-P305+P351+P338-P308+P313-P333+P313-P337+P313-P361+P364-P405-P501
Synthetic Route by SureRoute
2. ACNBIX612 Molecular Building Block Synthetic Route
(4R,E)-4-((1R,3aS,7aR,E)-4-((E)-2-((3S,5R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-1-cyclopropylpent-2-en-1-ol
(1S,4S,E)-4-((1R,3aS,7aR,E)-4-((E)-2-((3S,5R)-3,5-bis(tert-butyldimethylsilyloxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-1-cyclopropylpent-2-en-1-ol
(1S,4R,E)-4-((1R,3aS,7aR,E)-4-((Z)-2-((3S,5R)-3,5-Bis((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-1-cyclopropylpent-2-en-1-ol