Products 57780-81-1

CAS 57780-81-1 appears in our catalog under these names: Estradiol Impurity 1, Estradiol Impurity 2, (1S-(1Alpha,3aBeta,4Beta,7aAlpha))-4-(2-(2,5-Dihydroxyphenyl)ethyl)octahydro-1-hydroxy-7a-methyl-5H-inden-5-one. Offered by: Chemat Brand, TRC. Available pack sizes: on request, 10mg.

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

(1S,3aS,4S,7aS)-4-[2-(2,5-dihydroxyphenyl)ethyl]-1-hydroxy-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-one (CAS 57780-81-1) is a chemical compound with the molecular formula C18H24O4 and a molecular weight of 304.4 g/mol. IUPAC name: (1S,3aS,4S,7aS)-4-[2-(2,5-dihydroxyphenyl)ethyl]-1-hydroxy-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-one. InChIKey: URXOPPKRKXBFSM-USJZOSNVSA-N.

Identity
Molecular formulaC18H24O4
Molecular weight304.4 g/mol
IUPAC name(1S,3aS,4S,7aS)-4-[2-(2,5-dihydroxyphenyl)ethyl]-1-hydroxy-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-one
InChIKeyURXOPPKRKXBFSM-USJZOSNVSA-N
SMILESC[C@]12CCC(=O)[C@H]([C@@H]1CC[C@@H]2O)CCC3=C(C=CC(=C3)O)O

Computed by PubChem (NCBI)