Cas no 2857-42-3 (Androst-5-en-17-one,3-(acetyloxy)-19-hydroxy-, (3b)-)
2857-42-3 structure
Product Name:Androst-5-en-17-one,3-(acetyloxy)-19-hydroxy-, (3b)-
CAS No:2857-42-3
MF:C21H30O4
MW:346.460506916046
CID:260430
PubChem ID:251635
Update Time:2025-04-19
Androst-5-en-17-one,3-(acetyloxy)-19-hydroxy-, (3b)- Chemical and Physical Properties
Names and Identifiers
-
- Androst-5-en-17-one,3-(acetyloxy)-19-hydroxy-, (3b)-
- (1E)-1-[(4-iodophenyl)methylidene]indene
- 3β-Acetyloxy-19-hydroxyandrost-5-en-17-one
- A-Hydroxy-5-etienic acid
- A-Hydroxyetio-5-cholenic acid
- etienic acid
- Etiocholenic acid
- Androst-5-en-17-one, 3.beta.,19-dihydroxy-, 3-acetate
- 5J89F92ZYS
- UNII-5J89F92ZYS
- ANDROST-5-EN-17-ONE,3.BETA.,19-DIHYDROXY-,3-ACETATE
- NSC-72259
- 3.BETA.,19-DIHYDROXYANDROST-5-EN-17-ONE 3-ACETATE
- 3.BETA.-ACETOXY-19-HYDROXYANDROST-5-EN-17-ONE
- CHEBI:79806
- 3beta-Acetoxy-19-hydroxyandrost-5-en-17-one, (+)-
- 19-Hydroxy-17-oxoandrost-5-en-3-yl acetate
- 19-Hydroxy-17-oxoandrost-5-en-3-yl acetate #
- Androst-5-en-17-one,3beta,19-dihydroxy-,3-acetate
- 3.BETA.-ACETOXY-19-HYDROXYANDROST-5-EN-17-ONE, (+)-
- NSC72259
- DTXSID40951249
- Androst-5-en-17-one,19-dihydroxy-, 3-acetate
- 3beta-Acetoxy-19-hydroxyandrost-5-en-17-one
- 2857-42-3
- 3beta,19-Dihydroxyandrost-5-en-17-one 3-acetate
- Androst-5-en-17-one, 3-(acetyloxy)-19-hydroxy-, (3.beta.)-
- Q27148942
- SCHEMBL11536556
- JDEYENFMPLMNPT-JPRZGNOKSA-N
- Androst-5-en-17-one, 3-(acetyloxy)-19-hydroxy-, (3beta)-
-
- Inchi： 1S/C21H30O4/c1-13(23)25-15-7-10-21(12-22)14(11-15)3-4-16-17-5-6-19(24)20(17,2)9-8-18(16)21/h3,15-18,22H,4-12H2,1-2H3/t15-,16-,17-,18-,20-,21+/m0/s1
- InChI Key： JDEYENFMPLMNPT-JPRZGNOKSA-N
- SMILES： O=C1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(CO)CC[C@@H](CC3=CC[C@H]12)OC(C)=O
Computed Properties
- Exact Mass: 346.21400
- Monoisotopic Mass: 346.21440943g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 3
- Complexity: 623
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- PSA: 63.60000
- LogP: 3.42240
Androst-5-en-17-one,3-(acetyloxy)-19-hydroxy-, (3b)- Related Literature
-
1. Steroid conjugates. Part III. Syntheses of 19-oxygenated dehydro-epi-androsterone sulphatesM. S. Rajagopalan,D. S. H. Smith,A. B. Turner J. Chem. Soc. C 1971 646
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2. Inhibition of aromatase by steroids substituted at C-19 with halogen, sulphur, and nitrogenJ. Neville Wright,Phillip T. van Leersum,Stephen G. Chamberlin,Muhammad Akhtar J. Chem. Soc. Perkin Trans. 1 1989 1647
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James R. Hanson Nat. Prod. Rep. 1996 13 227
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