Cas no 6318-07-6 ((17beta)-17-ethyl-17-hydroxyestr-5(10)-en-3-one)
6318-07-6 structure
Product Name:(17beta)-17-ethyl-17-hydroxyestr-5(10)-en-3-one
CAS No:6318-07-6
MF:C20H30O2
MW:302.451006412506
CID:959023
PubChem ID:230975
Update Time:2025-04-19
(17beta)-17-ethyl-17-hydroxyestr-5(10)-en-3-one Chemical and Physical Properties
Names and Identifiers
-
- (17beta)-17-ethyl-17-hydroxyestr-5(10)-en-3-one
- 17-ETHYNYLESTRADIOL; 17a-Ethynylestriol); 17-Ethynylestriol;
- 17-alpha-Ethyl-19-nor-delta(sup 5(10))-androsten-17-beta-ol-3-one
- 6318-07-6
- Q27148621
- 17-Hydroxy-19-norpregn-5(10)-en-3-one
- 17-Hydroxy-19-nor-17-alpha-pregn-5(10)-en-3-one
- NSC-26421
- (8R,9S,13S,14S,17S)-17-ethyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
- NSC26421
- 19-Nor-17-alpha-pregn-5(10)-en-3-one, 17-beta-hydroxy-
- CHEBI:79526
- 17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one
- NSC 26421
- 19-Nor-17-alpha-pregn-5(10)-en-3-one, 17-hydroxy-
- DTXSID30979159
-
- Inchi: 1S/C20H30O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h16-18,22H,3-12H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1
- InChI Key: FWRAUZJFURIEHP-SLHNCBLASA-N
- SMILES: O[C@@]1(CC)CC[C@H]2[C@@H]3CCC4CC(CCC=4[C@H]3CC[C@@]21C)=O
Computed Properties
- Exact Mass: 302.2247
- Monoisotopic Mass: 302.225
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 1
- Complexity: 534
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 1.11
- Boiling Point: 441.9°C at 760 mmHg
- Flash Point: 188.4°C
- Refractive Index: 1.555
- PSA: 37.3
- LogP: 4.41340
(17beta)-17-ethyl-17-hydroxyestr-5(10)-en-3-one Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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