Cas no 2708-45-4 (Androst-4-en-3-one,9-fluoro-11,17-dihydroxy-16,17-dimethyl-, (11b,16a,17b)- (9CI))
2708-45-4 structure
Product Name:Androst-4-en-3-one,9-fluoro-11,17-dihydroxy-16,17-dimethyl-, (11b,16a,17b)- (9CI)
CAS No:2708-45-4
MF:C21H31FO3
MW:350.467450380325
CID:262682
PubChem ID:245873
Update Time:2025-04-19
Androst-4-en-3-one,9-fluoro-11,17-dihydroxy-16,17-dimethyl-, (11b,16a,17b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Androst-4-en-3-one,9-fluoro-11,17-dihydroxy-16,17-dimethyl-, (11b,16a,17b)- (9CI)
- (8S,9R,10S,13S,14S)-9-fluoro-11,17-dihydroxy-10,13,16,17-tetramethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
- AC1L5QXV
- AR-1L1727
- Flugestona
- Flugestone
- Flugestone (INN)
- Flugestonum
- NSC79327
- SureCN3394713
- Syncro-Part (TN)
- 9-Fluoro-11,17-dihydroxy-16,17-dimethylandrost-4-en-3-one
- NSC-58248
- 32752-30-0
- 2708-45-4
- NSC 58248
- DTXSID50954408
- NSC58248
-
- Inchi： 1S/C21H31FO3/c1-12-9-16-15-6-5-13-10-14(23)7-8-18(13,2)21(15,22)17(24)11-19(16,3)20(12,4)25/h10,12,15-17,24-25H,5-9,11H2,1-4H3/t12-,15+,16+,17+,18+,19+,20+,21+/m1/s1
- InChI Key： DWOBOIHVETVJBV-MVINOYJNSA-N
- SMILES： F[C@@]12[C@@]3(C)CCC(C=C3CC[C@H]1[C@@H]1C[C@@H](C)[C@@](C)([C@@]1(C)C[C@@H]2O)O)=O
Computed Properties
- Exact Mass: 350.22583
- Monoisotopic Mass: 350.22572301g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 0
- Complexity: 660
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53
- LogP: 3.57820
Androst-4-en-3-one,9-fluoro-11,17-dihydroxy-16,17-dimethyl-, (11b,16a,17b)- (9CI) Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
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
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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