Estradiol Impurity 1

cas: 57780-81-1 — see every product listed under this CAS number, including other names

Estradiol Impurity 1 (CAS 57780-81-1) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULE0973
cas57780-81-1
sizeon request
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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)

Synonyms: Estradiol Impurity 2, Estradiol Impurity
Isomers (same molecular formula)
[3-(2-methylprop-2-enoyloxy)-1-adamantyl] 2-methylprop-2-enoate C18H24O4
1-O-butyl 2-O-cyclohexyl benzene-1,2-dicarboxylate C18H24O4
2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonylbenzoic acid C18H24O4
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonylbenzoic acid C18H24O4
(1S)-1,3-dimethyl-2-[(1E,3E)-3-methyl-7-oxoocta-1,3-dienyl]-4-oxocyclohex-2-ene-1-carboxylic acid C18H24O4
(3aR,4R,5R,6aS)-4-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol C18H24O4
(6S,8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,6,16,17-tetrol C18H24O4
methyl 3-[2-[[(1S,2R,3R)-3-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoate C18H24O4
(3aR,4R,5R,6aS)-5-hydroxy-4-[(3R)-3-hydroxy-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one C18H24O4
(8R,9S,13S,14S,15R,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,15,16,17-tetrol C18H24O4
(2S)-2-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid C18H24O4
(8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2,3,16,17-tetrol C18H24O4

Also listed as

Estradiol Impurity 2 Chemat Brand CAS 57780-81-1
(1S-(1Alpha,3aBeta,4Beta,7aAlpha))-4-(2-(2,5-Dihydroxyphenyl)ethyl)octahydro-1-hydroxy-7a-methyl-5H-inden-5-one TRC CAS 57780-81-1