Cas no 517-06-6 ((8alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one)
517-06-6 structure
Product Name:(8alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one
CAS No:517-06-6
MF:C18H22O2
MW:270.366085529327
CID:1573742
PubChem ID:9547221
Update Time:2025-04-21
(8alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one Chemical and Physical Properties
Names and Identifiers
-
- (8alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one
- (8a)-3-Hydroxyestra-1,3,5(10)-trien-17-one
- (8α)-3-hydroxyestra-1(10),2,4-trien-17-one
- 8a-Estrone
- 8-Epiestrone
- D1,3,5-8-Epiestratrien-3-ol-17-one
- estra-1(10),2,4-trien-17-one, 3-hydroxy-, (8α)-
- (8α)-3-Hydroxyestra-1,3,5(10)-trien-17-one
- SCHEMBL7831317
- 3-hydroxy-8a-estra-1,3,5(10)-trien-17-one
- DL-8-Isoestrone
- Isoestrone
- 8-Isoestrone DL-form [MI]
- 3K9T4NLK5Q
- 8-Isoestrone
- Estra-1,3,5(10)-trien-17-one, 3-hydroxy-, (8alpha)-
- UNII-3K9T4NLK5Q
- 8.ALPHA.-ESTRONE
- DNXHEGUUPJUMQT-CVYDXHPNSA-N
- (+/-)-8-Isoestrone
- Estra-1,3,5(10)-trien-17-one, 3-hydroxy-, (8alpha)-(+/-)-
- 3-hydroxy-8alpha-estra-1,3,5(10)-trien -17-one
- ESTRA-1,3,5(10)-TRIEN-17-ONE, 3-HYDROXY-, (8.ALPHA.)-(+/-)-
- 8-Isoestrone [MI]
- SE9LJV29ZO
- 8alpha-3beta-hydroxy-estra-1,3,5(10)-trien-17-one
- 517-06-6
- 1,3,5-8alpha-Epiestratrien-17-one-3-ol
- 8-Isoestrone, (+/-)-
- ESTRA-1,3,5(10)-TRIEN-17-ONE, 3-HYDROXY-, (8.ALPHA.)-
- 8alpha-Estrone
- 1,3,5-8.ALPHA.-EPIESTRATRIEN-17-ONE-3-OL
- LMST02010021
- UNII-SE9LJV29ZO
- 4680-83-5
-
- Inchi： 1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15+,16+,18+/m1/s1
- InChI Key： DNXHEGUUPJUMQT-CVYDXHPNSA-N
- SMILES： O=C1CC[C@H]2[C@H]3CCC4C=C(C=CC=4[C@H]3CC[C@@]21C)O
Computed Properties
- Exact Mass: 270.16206
- Monoisotopic Mass: 270.162
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 0
- Complexity: 418
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 37.3A^2
Experimental Properties
- Density: 1.0898 (rough estimate)
- Melting Point: 254°C
- Boiling Point: 353.48°C (rough estimate)
- Flash Point: 189.72°C
- Refractive Index: 1.4800 (estimate)
- PSA: 37.3
- LogP: 3.81740
(8alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
517-06-6 ((8alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one) Related Products
- 10448-96-1(Almestrone)
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