Cas no 23961-95-7 (Pregna-1,4-diene-3,20-dione,9,11-epoxy-6-fluoro-17,21-dihydroxy-16-methyl-, (6a,9b,11b,16a)-)
23961-95-7 structure
Product Name:Pregna-1,4-diene-3,20-dione,9,11-epoxy-6-fluoro-17,21-dihydroxy-16-methyl-, (6a,9b,11b,16a)-
CAS No:23961-95-7
MF:C22H27FO5
MW:390.445190668106
CID:290001
PubChem ID:91100
Update Time:2025-04-19
Pregna-1,4-diene-3,20-dione,9,11-epoxy-6-fluoro-17,21-dihydroxy-16-methyl-, (6a,9b,11b,16a)- Chemical and Physical Properties
Names and Identifiers
-
- Pregna-1,4-diene-3,20-dione,9,11-epoxy-6-fluoro-17,21-dihydroxy-16-methyl-, (6a,9b,11b,16a)-
- 9BETA,11BETA-EPOXY-6ALPHA-FLUORO-17,21-DIHYDROXY-16ALPHA-METHYLPREGNA-1,4-DIENE-3,20-DIONE
- EINECS 245-956-1
- 6-fluoro-17,21-dihydroxy-16-methyl-9,11-epoxypregna-1,4-diene-3,20-dione
- 8-fluoro-14-hydroxy-14-(2-hydroxyacetyl)-2, 13, 15-trimethyl-18-oxapentacyclo[8.8.0.01, 17.02, 7.011, 15]octadeca-3, 6-dien-5-one
- 8-fluoro-14-hydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one
- DTXSID90946807
- 23961-95-7
-
- Inchi： 1S/C22H27FO5/c1-11-6-13-14-8-16(23)15-7-12(25)4-5-19(15,2)22(14)18(28-22)9-20(13,3)21(11,27)17(26)10-24/h4-5,7,11,13-14,16,18,24,27H,6,8-10H2,1-3H3
- InChI Key： NMNNKCZINHXRCS-UHFFFAOYSA-N
- SMILES： FC1C2=CC(C=CC2(C)C23C(CC4(C)C(C(CO)=O)(C(C)CC4C2C1)O)O3)=O
Computed Properties
- Exact Mass: 390.18431
- Monoisotopic Mass: 390.18425212g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 28
- Rotatable Bond Count: 2
- Complexity: 850
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 9
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 1.9
- Topological Polar Surface Area: 87.1?2
Experimental Properties
- PSA: 87.13
Pregna-1,4-diene-3,20-dione,9,11-epoxy-6-fluoro-17,21-dihydroxy-16-methyl-, (6a,9b,11b,16a)- Related Literature
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
23961-95-7 (Pregna-1,4-diene-3,20-dione,9,11-epoxy-6-fluoro-17,21-dihydroxy-16-methyl-, (6a,9b,11b,16a)-) Related Products
- 61618-89-1((6α,9β,11β,16α)-9,11-Epoxy-6-fluoro-21-hydroxy-16-methyl-pregna-1,4-diene-3,20-dione)
- 53-34-9(6a-Fluprednisolone)
- 53-33-8(Paramethasone)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
Recommended suppliers
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
Nanjing Jubai Biopharm
Gold Member
Audited Supplier
CN Supplier
Bulk
Hangzhou Cedareal Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk