Cas no 67-95-8 (Pregna-3,5-dien-20-one,3-(cyclopentyloxy)-)
67-95-8 structure
Product Name:Pregna-3,5-dien-20-one,3-(cyclopentyloxy)-
Pregna-3,5-dien-20-one,3-(cyclopentyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- Pregna-3,5-dien-20-one,3-(cyclopentyloxy)-
- 3-cyclopentyloxypregna-3,5-dien-20-one
- 1-[(8S,9S,10R,13S,14S,17S)-3-cyclopentyloxy-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
- Quingestrone (USAN/INN)
- W 3399
- Pregna-3,5-dien-20-one, 3-(cyclopentyloxy)-
- D05680
- 67-95-8
- DTXSID00217196
- 3-Cyclopentyloxy-3,5-pregnadien-20-on
- Quingestronum [INN-Latin]
- Quingestronum
- W-3399
- QUINGESTRONE [USAN]
- progesterone cyclopentyl enol ether
- Quingestrone [USAN:INN]
- Quingestrona
- Quingestron
- SCHEMBL145789
- QUINGESTRONE
- 0612VZ9I5Z
- Quingestrona [INN-Spanish]
- Q27236154
- CHEMBL2104568
- UNII-0612VZ9I5Z
- QUINGESTRONE [INN]
- 3-(Cyclopentyloxy)pregna-3,5-dien-20-one
-
- Inchi： 1S/C26H38O2/c1-17(27)22-10-11-23-21-9-8-18-16-20(28-19-6-4-5-7-19)12-14-25(18,2)24(21)13-15-26(22,23)3/h8,16,19,21-24H,4-7,9-15H2,1-3H3/t21-,22+,23-,24-,25-,26+/m0/s1
- InChI Key： XAVRSHOUEXATJE-FBQZJRKBSA-N
- SMILES： O=C(C)[C@H]1CC[C@H]2[C@@H]3CC=C4C=C(CC[C@]4(C)[C@H]3CC[C@@]21C)OC1CCCC1
Computed Properties
- Exact Mass: 382.287
- Monoisotopic Mass: 382.287
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 28
- Rotatable Bond Count: 3
- Complexity: 712
- 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: 6.2
- Topological Polar Surface Area: 26.3A^2
Experimental Properties
- Density: 1.081
- Boiling Point: 520.631°C at 760 mmHg
- Flash Point: 201.856°C
- Refractive Index: 1.553
Pregna-3,5-dien-20-one,3-(cyclopentyloxy)- Related Literature
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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