Cas no 56933-62-1 (Pregna-1,4-diene-3,20-dione,9-fluoro-11,17-dihydroxy-16-methyl-21-[(1-oxononyl)oxy]-, (11b,16b)- (9CI))
![Pregna-1,4-diene-3,20-dione,9-fluoro-11,17-dihydroxy-16-methyl-21-[(1-oxononyl)oxy]-, (11b,16b)- (9CI) structure](https://ossimg.kuujia.com/scimg/57000/56933-62-1x500.png)
56933-62-1 structure
Product Name:Pregna-1,4-diene-3,20-dione,9-fluoro-11,17-dihydroxy-16-methyl-21-[(1-oxononyl)oxy]-, (11b,16b)- (9CI)
CAS No:56933-62-1
MF:C31H45FO6
MW:532.683813810349
CID:377800
PubChem ID:92581
Update Time:2025-04-19
Pregna-1,4-diene-3,20-dione,9-fluoro-11,17-dihydroxy-16-methyl-21-[(1-oxononyl)oxy]-, (11b,16b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pregna-1,4-diene-3,20-dione,9-fluoro-11,17-dihydroxy-16-methyl-21-[(1-oxononyl)oxy]-, (11b,16b)- (9CI)
- 9-fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21-nonanoate
- (11beta,16beta)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl nonanoate
- NS00054401
- DTXSID20972371
- 9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl nonanoate
- EINECS 260-453-7
- 56933-62-1
-
- Inchi： 1S/C31H45FO6/c1-5-6-7-8-9-10-11-27(36)38-19-26(35)31(37)20(2)16-24-23-13-12-21-17-22(33)14-15-28(21,3)30(23,32)25(34)18-29(24,31)4/h14-15,17,20,23-25,34,37H,5-13,16,18-19H2,1-4H3/t20-,23-,24-,25-,28-,29-,30-,31-/m0/s1
- InChI Key： AWDSCRBRERQCNU-DXPBGWFQSA-N
- SMILES： F[C@@]12[C@]3(C=CC(C=C3CC[C@H]1[C@@H]1C[C@H](C)[C@](C(COC(CCCCCCCC)=O)=O)([C@@]1(C)C[C@@H]2O)O)=O)C
Computed Properties
- Exact Mass: 532.32001731g/mol
- Monoisotopic Mass: 532.32001731g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 38
- Rotatable Bond Count: 11
- Complexity: 1020
- 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: 6
- Topological Polar Surface Area: 101?2
Pregna-1,4-diene-3,20-dione,9-fluoro-11,17-dihydroxy-16-methyl-21-[(1-oxononyl)oxy]-, (11b,16b)- (9CI) Related Literature
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
56933-62-1 (Pregna-1,4-diene-3,20-dione,9-fluoro-11,17-dihydroxy-16-methyl-21-[(1-oxononyl)oxy]-, (11b,16b)- (9CI)) Related Products
- 10161-34-9(Trenbolone Acetate)
- 192569-17-8(11a-Hydroxy Canrenone)
- 434-05-9(Metenolone acetate)
- 976-71-6(Canrenone)
- 1045-69-8(Testosterone acetate)
- 4223-43-2(9b,10a-Androst-4-en-3-one, 6b,17b-dihydroxy-, 17-acetate (8CI))
- 2590-41-2(6-Dehydronandrolone acetate)
- 1425-10-1(Nandrolone acetate)
- 5062-62-4(20-Dihydroprogesterone Acetate)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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