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302-97-6

302-97-6 Structure

302-97-6 Structure
IdentificationMore
[Name]

4-Androsten-3-one-5-ene-17-carboxylic acid
[CAS]

302-97-6
[Synonyms]

3-KETO-4-ETIOCHOLENIC ACID
3-OXO-4-ANDROSTENE-17BETA-CARBOXYLIC ACID
3-OXO-ANDROST-4-ENE-17BETA-CARBOXYLIC ACID
4-ANDROSTEN-17BETA-CARBOXYLIC ACID-3-ONE
4-ANDROSTEN-3-ONE-17-BETA-CARBOXYLIC ACID
4-Androsten-3-one-5-ene-17-carboxylic acid
(17-beta)-androst-4-ene-17-carboxylicaci
3-oxo-androst-4-ene-17-beta-carboxylicaci
l552.803
ANDROST-3-ONE-4-ENE-17BETA-CARBOXYLIC ACID
AD-17-Carboxylic acid
(8S,9S,10R,13S,14S,17S)-10,13-DIMETHYL-3-OXO-2,3,6,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-17-CARBOXYLIC ACID
3-Oxo-androst-4-ene-17β-carboxylic acid
4-Androstene-3-one-17-Carboxylic Acid
3-Oxo-Androst-4-Ene-17b-CarboxylicAcid
3-Oxo-4,5-Androstene-17B-carboxylic acid
3-Oxo-4-androstene-17$b-carboxylicacid
3-OXO-ANDROST-4-ENE-17SS-CARBOXYLIC ACID
4-ANDROSTENE-3-ONE-13-CARBOXYLIE ACID
4-Androsten-3-one-17B-carboxylic acid
[EINECS(EC#)]

202-074-1
[Molecular Formula]

C20H27O3
[MDL Number]

MFCD00271288
[Molecular Weight]

315.43
[MOL File]

302-97-6.mol
Chemical PropertiesBack Directory
[Melting point ]

260 °C(Solv: acetone (67-64-1); hexane (110-54-3))
[Boiling point ]

483.9±45.0 °C(Predicted)
[density ]

1.17±0.1 g/cm3(Predicted)
[solubility ]

Chloroform (Slightly), Ethanol (Slightly, Sonicated), Methanol (Slightly)
[form ]

Solid
[pka]

4.81±0.60(Predicted)
[color ]

White to Off-White
[InChI]

InChI=1S/C20H28O3/c1-19-9-7-13(21)11-12(19)3-4-14-15-5-6-17(18(22)23)20(15,2)10-8-16(14)19/h11,14-17H,3-10H2,1-2H3,(H,22,23)
[InChIKey]

YQACAXHKQZCEOI-UHFFFAOYSA-N
[SMILES]

C1C2(C)C(CCC3C2CCC2(C)C3CCC2C(O)=O)=CC(=O)C1
[CAS DataBase Reference]

302-97-6(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)
GHS08
[Signal word ]

Warning
[Hazard statements ]

H361f-H413
[REACH Registrations]

Active
Hazard InformationBack Directory
[Chemical Properties]

White to Yellow Solid.
[Uses]

4-Androsten-3-one-5-ene-17-carboxylic acid is a testosterone based deritivative which has been used in the synthesis of a number of biologically active steroids, include finasteride and epristeride.
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

302-97-6(sigmaaldrich)
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