Account (1R,3S,Z)-5-(2-((1S,3aS,7aS,E)-1-((R)-1-((4-ethyl-4-hydroxyhexyl)oxy)ethyl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol
- Catalog No. :
- ACRETG803
- CAS No. :
- 131875-08-6
- Molecular Formula :
- C29H48O4
- Molecular Weight :
- 460.70
IUPAC Name:(1R,3S,Z)-5-(2-((1S,3aS,7aS,E)-1-((R)-1-((4-ethyl-4-hydroxyhexyl)oxy)ethyl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol
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Product Information
| Product Name | (1R,3S,Z)-5-(2-((1S,3aS,7aS,E)-1-((R)-1-((4-ethyl-4-hydroxyhexyl)oxy)ethyl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol |
|---|---|
| IUPAC Name | (1R,3S,Z)-5-(2-((1S,3aS,7aS,E)-1-((R)-1-((4-ethyl-4-hydroxyhexyl)oxy)ethyl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol |
| MDL No. | MFCD00867078 |
| Molecular Formula | C29H48O4 |
| Molecular Weight | 460.70 |
| SMILES | C[C@]1(CCC/2)[C@](CC[C@@H]1[C@@H](C)OCCCC(CC)(CC)O)([H])C2=C\C=C(C[C@@H](O)C[C@@H]3O)/C3=C |
| InChI Key | KLZOTDOJMRMLDX-YBBVPDDNSA-N |
| Synonym | Lexacalcitol;(1S*,3R*,5Z),7aalpha))-(5Z,7E,20R)-20-((4-Ethyl-4-hydroxyhexyl)oxy)-9,10-secopregna-5,7,10(19)-triene-1alpha,3beta-diol;KH 106;(1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1R)-1-(4-ethyl-4-hydroxyhexoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;KH 1060;Lenosacalcitol;1,3-Cyclohexanediol, 5-[(2E)-2-[(1S,3aS,7aS)-1-[(1R)-1-[(4-ethyl-4-hydroxyhexyl)oxy]ethyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1R,3S,5Z)-;Lexacalcideferol |
| CAS No. | 131875-08-6 |
Safety Data
- Pictogram
- Signal Word
- Danger
- Hazard Statement(s)
- H300
- Precautionary Statement(s)
- P264-P270-P301+P310+P330-P405-P501
Synthetic Route by SureRoute
2. ACRETG803 Molecular Building Block Synthetic Route
CB 1151
(1R,3S,Z)-5-(2-((1S,3aS,7aS,E)-1-((S)-1-(3-Hydroxy-3-methylbutoxy)ethyl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol
(1R,3R,Z)-5-(2-((1S,3aS,7aS,E)-1-((S)-1-(3-hydroxy-3-methylbutoxy)ethyl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol