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39931-87-8

39931-87-8 Structure

39931-87-8 Structure
IdentificationBack Directory
[Name]

(5α,10α)-5,10-Epoxy-estr-9(11)-ene-3,17-dione Cyclic 3-(1,2-Ethanediyl Acetal)
[CAS]

39931-87-8
[Synonyms]

BAMMJXIMVWLRCU-YAUBAPCASA-N
(5a,10b)-5,10-Epoxy-estr-9(11)-ene-3,17-dione Cyclic 3-(1,2-Ethanediyl Acetal)
(5α,10α)-5,10-Epoxy-estr-9(11)-ene-3,17-dione Cyclic 3-(1,2-Ethanediyl Acetal)
Estr-9(11)-ene-3,17-dione, 5,10-epoxy-, cyclic 3-(1,2-ethanediyl acetal), (5α,10α)-
(5α,10α)-5,10-Epoxy-estr-9(11)-ene-3,17-dione Cyclic 3-(1,2-Ethanediyl Acetal), CAS 39931-87-8
13'-methyl-1',2',6',7',8',12',13',14',15',16'-decahydro-4'H,17'H-spiro[[1,3]dioxolane-2,3'-[5,10]epoxycyclopenta[a]phenanthren]-17'-one
(5′R,8′S,10′R,13′S,14′S)-13′-methyl-1′,2′,6′,7′8′,12′,13′,14′,15′,16′-decahydro-17′H-spiro[1,3-dioxolane-2,3′-[5,10]epoxycyclopenta[a]phenantren]-17′-one
[EINECS(EC#)]

821-898-8
[Molecular Formula]

C20H26O4
[MDL Number]

MFCD22566734
[MOL File]

39931-87-8.mol
[Molecular Weight]

330.42
Chemical PropertiesBack Directory
[Melting point ]

135-139°C
[Boiling point ]

499.1±45.0 °C(Predicted)
[density ]

1.29±0.1 g/cm3(Predicted)
[storage temp. ]

Refrigerator
[solubility ]

Chloroform, Dichloromethane, Ethyl Acetate
[form ]

Solid
[color ]

Pale Yellow
[PH]

9.01 at 24.5℃ and 1000g/L
[InChI]

InChI=1/C20H26O4/c1-17-6-5-15-13(14(17)2-3-16(17)21)4-7-18-12-19(22-10-11-23-19)8-9-20(15,18)24-18/h5,13-14H,2-4,6-12H2,1H3/t13-,14+,17-,18-,20-/s3
[InChIKey]

BAMMJXIMVWLRCU-KMXXOIMFNA-N
[SMILES]

C1[C@@]23O[C@@]2(CC[C@H]2[C@H]4CCC(=O)[C@@]4(C)CC=C23)CC2(OCCO2)C1 |&1:1,3,6,7,12,r|
[LogP]

2.7 at 30℃ and pH5
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS07,GHS08
[Signal word ]

Warning
[Hazard statements ]

H332-H373-H317-H413-H319-H302
[Precautionary statements ]

P260-P314-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
[REACH Registrations]

Active
Hazard InformationBack Directory
[Chemical Properties]

Pale Yellow Solid
[Uses]

Intermediate in the preparation of Mifepristone metabolites.
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