Products 2227309-94-4

CAS 2227309-94-4 is the registry number for 1-Keto-7,8-epoxy-vitamin D3. Offered by: TRC. Available pack sizes: 5mg.

Structural formula: {0} (CAS {1})

(3Z,5R)-3-[[(1R,2'R,3aR,4R,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]spiro[2,3,3a,5,6,7-hexahydro-1H-indene-4,3'-oxirane]-2'-yl]methylidene]-5-hydroxy-2-methylidenecyclohexan-1-one (CAS 2227309-94-4) is a chemical compound with the molecular formula C27H42O3 and a molecular weight of 414.6 g/mol. IUPAC name: (3Z,5R)-3-[[(1R,2'R,3aR,4R,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]spiro[2,3,3a,5,6,7-hexahydro-1H-indene-4,3'-oxirane]-2'-yl]methylidene]-5-hydroxy-2-methylidenecyclohexan-1-one. InChIKey: QKBUEEYADZFCDP-PWZKJWAFSA-N.

Identity
Molecular formulaC27H42O3
Molecular weight414.6 g/mol
IUPAC name(3Z,5R)-3-[[(1R,2'R,3aR,4R,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]spiro[2,3,3a,5,6,7-hexahydro-1H-indene-4,3'-oxirane]-2'-yl]methylidene]-5-hydroxy-2-methylidenecyclohexan-1-one
InChIKeyQKBUEEYADZFCDP-PWZKJWAFSA-N
SMILESC[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC[C@]23[C@H](O3)/C=C\4/C[C@H](CC(=O)C4=C)O)C

Computed by PubChem (NCBI)