ChemicalBook--->CAS DataBase List--->571-92-6

571-92-6

571-92-6 Structure

571-92-6 Structure
IdentificationBack Directory
[Name]

6-KETOESTRADIOL
[CAS]

571-92-6
[Synonyms]

Nsc 147966
6-Oxoestradiol
6-KETOESTRADIOL
Estradiol-6-one
oestradiol-6-one
6-Oxo-17β-estradiol
6-Keto 17β-Estradiol
BETA-ESTRADIOL-6-ONE
6-KETO-17-BETA-ESTRADIOL
Estradiol Related CoMpound C
1,3,5-Estratriene-3,17β-diol-6-one
1,3,5(10)-Estratrien-3,17β-diol-6-one
1,3,5-ESTRATRIENE-3,17BETA-DIOL-6-ONE
1,3,5[10]-ESTRATRIENE-3,17BETA-DIOL-6-ONE
1,3,5(10)-ESTRATRIEN-3,17-BETA-DIOL-6-ONE
3,17β-Dihydroxyestra-1,3,5(10)-trien-6-one
3,17β-Dihydroxy-1,3,5(10)-estratrien-6-one
3,17BETA-DIHYDROXY-1,3,5[10]-ESTRATRIEN-6-ONE
(17b)-3,17-Dihydroxyestra-1,3,5(10)-trien-6-one
(17β)-3,17-Dihydroxyestra-1,3,5(10)-trien-6-one
Estra-1,3,5(10)-trien-6-one, 3,17-dihydroxy-, (17beta)- (9ci)
Estradiol Related Compound C (15 mg) (1,3,5(10)-estratrien-3,17beta-diol-6-one)
1,3,5-Estratriene-3,17β-diol-6-one, 3,17β-Dihydroxy-1,3,5(10)-estratrien-6-one, 6-Ketoestradiol
β-Estradiol-6-one,1,3,5-Estratriene-3,17β-diol-6-one, 3,17β-Dihydroxy-1,3,5(10)-estratrien-6-one, 6-Ketoestradiol
(8R,9S,13S,14S,17S)-3,17-dihydroxy-13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-6-one
[EINECS(EC#)]

206-141-6
[Molecular Formula]

C18H22O3
[MDL Number]

MFCD00056457
[MOL File]

571-92-6.mol
[Molecular Weight]

286.37
Chemical PropertiesBack Directory
[Melting point ]

281-283 °C
[Boiling point ]

478.9±45.0 °C(Predicted)
[density ]

1.249±0.06 g/cm3(Predicted)
[storage temp. ]

Refrigerator
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

9.36±0.60(Predicted)
[color ]

White to Off-White
[biological source]

synthetic (organic)
[BRN ]

3208779
[InChI]

1S/C18H22O3/c1-18-7-6-12-11-3-2-10(19)8-14(11)16(20)9-13(12)15(18)4-5-17(18)21/h2-3,8,12-13,15,17,19,21H,4-7,9H2,1H3/t12-,13-,15+,17+,18+/m1/s1
[InChIKey]

ZHTDDOWJIRXOMA-YVEZLPLXSA-N
[SMILES]

C[C@]12CC[C@H]3[C@@H](CC(=O)c4cc(O)ccc34)[C@@H]1CC[C@@H]2O
[CAS DataBase Reference]

571-92-6
Hazard InformationBack Directory
[Uses]

A metabolite of Estradiol (E888000).
[Purification Methods]

-Estradiol-6-one forms plates from EtOH. The 3,17-diacetate has m 173-175o after recrystallisation from aqueous EtOH. [Longwell & Wintersteiner J Biol Chem 133 219 1940.] The UV has max at 255 and 326nm in EtOH [Slaunwhite et al. J Biol Chem 191 627 1951]. [Beilstein 8 IV 2398.]
Safety DataBack Directory
[Safety Statements ]

22-24/25
[WGK Germany ]

3
[REACH Registrations]

Active
[HS Code ]

2937230000
[Storage Class]

11 - Combustible Solids
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