Cas no 16895-64-0 (17a-Hydroxy-19-norpregn-4-ene-3,20-dione)
16895-64-0 structure
Product Name:17a-Hydroxy-19-norpregn-4-ene-3,20-dione
CAS No:16895-64-0
MF:C20H28O3
MW:316.434526443481
CID:50579
PubChem ID:12922798
Update Time:2025-04-18
17a-Hydroxy-19-norpregn-4-ene-3,20-dione Chemical and Physical Properties
Names and Identifiers
-
- 17a-Hydroxy-19-norpregn-4-ene-3,20-dione
- 17-Hydroxy-19-nor-17a-pregn-4-ene-3,20-dione
- 17-Hydroxy-19-nor-17a-pregn-4-ene-3,20-dione; 19-NORPREGN-4-ENE-3,20-DINE,17α-HYDROXY; (17alpha)-17-acetyl-17-hydroxyestr-4-en-3-one
- 19-NORPREGN-4-ENE-3,20-DINE,17α-HYDROXY
- (1S,3aS,3bR,9aR,9bS,11aS)-1-acetyl-1-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
- (8R,9S,10R,13S,14S,17S)-17-acetyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
- 16895-64-0
- SCHEMBL19834940
-
- Inchi： 1S/C20H28O3/c1-12(21)20(23)10-8-18-17-5-3-13-11-14(22)4-6-15(13)16(17)7-9-19(18,20)2/h11,15-18,23H,3-10H2,1-2H3/t15-,16+,17+,18-,19-,20+/m0/s1
- InChI Key： GTFUITFQDGVJSK-JBKQDOAHSA-N
- SMILES： O[C@@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(CC[C@@H]4[C@H]3CC[C@@]21C)=O
Computed Properties
- Exact Mass: 316.204
- Monoisotopic Mass: 316.204
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 1
- Complexity: 592
- 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: 54.4A^2
Experimental Properties
- Density: 1.17
- Boiling Point: 484.9°Cat760mmHg
- Flash Point: 261.2°C
- Refractive Index: 1.564
- PSA: 54.37000
- LogP: 3.44830
17a-Hydroxy-19-norpregn-4-ene-3,20-dione Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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