Cas no 2307-97-3 (19-Norpregn-5(10)-en-20-yne-3,17-diol,(3b,17a)- (9CI))
2307-97-3 structure
Product Name:19-Norpregn-5(10)-en-20-yne-3,17-diol,(3b,17a)- (9CI)
CAS No:2307-97-3
MF:C20H28O2
MW:300.435126304626
CID:259696
PubChem ID:134503
Update Time:2025-04-19
19-Norpregn-5(10)-en-20-yne-3,17-diol,(3b,17a)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 19-Norpregn-5(10)-en-20-yne-3,17-diol,(3b,17a)- (9CI)
- [(2R,9aS)-2-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl] propanoate,hydrochloride
- SCHEMBL3498628
- 17-alpha-Ethynyl-estr-5(10)-ene-3-beta,17-beta-diol
- 19-Norpregn-5(10)-en-20-yne-3,17-diol, (3-beta,17-alpha)-
- 19-Nor-17-alpha-pregn-5(10)-en-20-yne-3-beta,17-diol
- 3-beta-Hydroxynorethynodrel
- 2307-97-3
- 17alpha-Ethynyl-estr-5(10)-ene-3beta,17beta-diol
-
- Inchi： 1S/C20H28O2/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/h1,14,16-18,21-22H,4-12H2,2H3/t14-,16+,17+,18-,19-,20-/m0/s1
- InChI Key： XSQAQKNJHGGMRV-CHZZJNJQSA-N
- SMILES： O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4C[C@H](CCC=4[C@H]3CC[C@@]21C)O
Computed Properties
- Exact Mass: 300.20904
- Monoisotopic Mass: 300.209
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 1
- Complexity: 568
- 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: 2.5
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- Density: 1.0597 (rough estimate)
- Melting Point: 132°C
- Boiling Point: 381.66°C (rough estimate)
- Flash Point: 201.4°C
- Refractive Index: 1.4800 (estimate)
- PSA: 40.46
19-Norpregn-5(10)-en-20-yne-3,17-diol,(3b,17a)- (9CI) Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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