Products 117456-87-8

CAS 117456-87-8 appears in our catalog under these names: Triptonodiol, Triptonodiol, 98.0%. Offered by: GLPBio, Biosynth, MedChemExpress. Available pack sizes: 1mg, 2mg, 5mg, 10mg, 5 mg, 1 mg.

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

(1S,4aS,10aR)-5-hydroxy-1-(hydroxymethyl)-8-methoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one (CAS 117456-87-8) is a chemical compound with the molecular formula C21H30O4 and a molecular weight of 346.5 g/mol. IUPAC name: (1S,4aS,10aR)-5-hydroxy-1-(hydroxymethyl)-8-methoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one. InChIKey: XGRBHDJWRPUKMD-TYCQWZJGSA-N.

Identity
Molecular formulaC21H30O4
Molecular weight346.5 g/mol
IUPAC name(1S,4aS,10aR)-5-hydroxy-1-(hydroxymethyl)-8-methoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
InChIKeyXGRBHDJWRPUKMD-TYCQWZJGSA-N
SMILESCC(C)C1=CC(=C2C(=C1OC)CC[C@@H]3[C@@]2(CCC(=O)[C@]3(C)CO)C)O

Computed by PubChem (NCBI)