ChemicalBook--->CAS DataBase List--->5571-36-8

5571-36-8

5571-36-8 Structure

5571-36-8 Structure
IdentificationBack Directory
[Name]

Estradiene dione-3-keta
[CAS]

5571-36-8
[Synonyms]

3- ketal
Estradiene
9(11)-diene
Ethylene Deltenine
Stradiene dione-3-keta
Estradiene dione-3-kete
ESTRADIENE DIONE-3-KETA
ESTRADIENE DIONE-3-KETAL
Cyclic 3-(1,2-Ethanediyl Acetal)
3-Ethylene dioxy-17-oxo estra-5(10)
-ETHYLENEDIOXY-ESTRA-5(10), 9(11)-DIEN-17-ONE
3-Ethylenedioxy-estra-5(10),9(11)-diene-17-one
3,3-(ETHYLENEDIOXY)ESTRA-5(10),9(11)-DIEN-17-ONE
3-ETHYLENE DIOXY-17-OXO ESTRA-5(10), 9(11)-DIENE
ESTRA-5(10), 9(11)-DIENE-17-ONE-3-ETHYLENE GLYCOL
Estra-5(10),9(11)-diene-3,17-dione 3-Ethylene Ketal
3-ETHYLENE DIOXY-17-OXO-13-METHYL ESTRA-5(10)9(11)-DIENE
cyclic-3-(1,2-ethanediyl acetal)-estra-5(10),9(11)-dien-3,17-dione
Cyclic 3-(1,2-Ethanediyl Acetal)-estra-5(10),9(11)-diene-3,17-dione
Estradiene dione-3-keta Cyclic-3-(1,2-ethanediyl acetal)-estra-5(10),9(11)-dien-3,17-dione
(8S,13S,14S)-13-Methyl-1,2,6,7,8,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17(4H)-one
[EINECS(EC#)]

427-230-8
[Molecular Formula]

C20H26O3
[MDL Number]

MFCD08062585
[MOL File]

5571-36-8.mol
[Molecular Weight]

314.42
Chemical PropertiesBack Directory
[Appearance]

Off-White Solid
[Melting point ]

152-154°C
[Boiling point ]

488.1±45.0 °C(Predicted)
[density ]

1.20±0.1 g/cm3(Predicted)
[vapor pressure ]

0Pa at 25℃
[storage temp. ]

-20°C Freezer
[solubility ]

Chloroform (Sparingly, Heated, Sonicated), Methanol (Slightly)
[form ]

Solid
[color ]

White to Light Yellow
[Optical Rotation]

Consistent with structure
[Water Solubility ]

903μg/L at 25℃
[InChI]

InChI=1/C20H26O3/c1-19-8-6-15-14-7-9-20(22-10-11-23-20)12-13(14)2-3-16(15)17(19)4-5-18(19)21/h6,16-17H,2-5,7-12H2,1H3/t16-,17+,19+/s3
[InChIKey]

XUOQKQRMICQUQC-GDJQEYATNA-N
[SMILES]

C[C@@]12C(CC[C@@]1([H])[C@]1([H])CCC3CC4(OCCO4)CCC=3C1=CC2)=O |&1:1,5,7,r|
[LogP]

4.74
Questions And AnswerBack Directory
[Uses]

3-Ketal is used as an intermediate for mifepristone; it is also used as an anti-progestin and anti-glucocorticoid antagonist, steroid spiroxazole.
Hazard InformationBack Directory
[Chemical Properties]

Off-White Solid
[Uses]

Mifepristone intermediate; antiprogestational antiglucocorticoid antagonist steroidal spirooxazole.
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)Environment (GHS09)
GHS08,GHS09
[Signal word ]

Danger
[Hazard statements ]

H360-H373-H411
[Precautionary statements ]

P201-P202-P260-P273-P280-P308+P313-P391-P405-P501
[RIDADR ]

3077
[HS Code ]

2937.23.5050
[REACH Registrations]

Active
[HazardClass ]

9
[PackingGroup ]

III
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

Gestrinone-->Altrenogest
Spectrum DetailBack Directory
[Spectrum Detail]

Estradiene dione-3-keta(5571-36-8)1HNMR
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