((1R,3S,E)-5-((E)-2-((1R,3aS,7aR)-7a-methyl-1-((R)-6-methylheptan-2-yl)dihydro-1H-inden-4(2H,5H,6H,7H,7aH)-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diyl)bis(oxy)bis(tert-butyldimethylsilane), 98%

cas: 112670-85-6 — see every product listed under this CAS number, including other names

((1R,3S,E)-5-((E)-2-((1R,3aS,7aR)-7a-methyl-1-((R)-6-methylheptan-2-yl)dihydro-1H-inden-4(2H,5H,6H,7H,7aH)-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diyl)bis(oxy)bis(tert-butyldimethylsilane), 98% (CAS 112670-85-6) is a chemical reagent available from Chemat. Available pack sizes: 250mg, 1g. Offered by: Fluorochem.

brand	Fluorochem
catalog number	F986347-250MG
cas	112670-85-6
size	250mg

Documents: Safety Data Sheet (MSDS)

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[(1S,3E,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane (CAS 112670-85-6) is a chemical compound with the molecular formula C39H72O2Si2 and a molecular weight of 629.2 g/mol. IUPAC name: [(1S,3E,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane. InChIKey: YYGPOUVOBLNWHS-YCDCPRPKSA-N.

Identity

Molecular formula	C39H72O2Si2
Molecular weight	629.2 g/mol
IUPAC name	[(1S,3E,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
InChIKey	YYGPOUVOBLNWHS-YCDCPRPKSA-N
SMILES	C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](C[C@@H](C3=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C

Computed by PubChem (NCBI)

Synonyms: 1,3-bi-TBS-trans-Alfacalcidol, C39H72O2Si2, Alfacalcidol impurity 01

Related forms of this compound

[(1R,3E,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane C₃₉H₇₂O₂Si₂