Cas no 387-59-7 (Pregn-4-ene-3,20-dione,6-fluoro-11,17,21-trihydroxy-16-methyl-, (6a,11b,16a)- (9CI))
387-59-7 structure
Product Name:Pregn-4-ene-3,20-dione,6-fluoro-11,17,21-trihydroxy-16-methyl-, (6a,11b,16a)- (9CI)
CAS No:387-59-7
MF:C22H31FO5
MW:394.476950883865
CID:315437
PubChem ID:23616837
Update Time:2025-04-19
Pregn-4-ene-3,20-dione,6-fluoro-11,17,21-trihydroxy-16-methyl-, (6a,11b,16a)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pregn-4-ene-3,20-dione,6-fluoro-11,17,21-trihydroxy-16-methyl-, (6a,11b,16a)- (9CI)
- 6alpha-fluoro-11beta,17,21-trihydroxy-16alpha-methylpregn-4-ene-3,20-dione
- 6-O-A-D-GLC-D-FRU
- Isomaltulose
- ISOMALTULOSE HYDRATE
- PALATINOSE HYDRATE
- PALATINOSE MONOHYDRATE
- 6.ALPHA.-FLUORO-11.BETA.,17,21-TRIHYDROXY-16.ALPHA.-METHYLPREGN-4-ENE-3,20-DIONE
- EINECS 206-861-0
- (6alpha,11beta,16alpha)-6-fluoro-11,17,21-trihydroxy-16-methylpregn-4-ene-3,20-dione
- UNII-86K01RBU61
- 6-Fluoro-11,17,21-trihydroxy-16-methylpregn-4-ene-3,20-dione, (6alpha,11beta,16alpha)-
- PREGN-4-ENE-3,20-DIONE, 6-FLUORO-11,17,21-TRIHYDROXY-16-METHYL-, (6.ALPHA.,11.BETA.,16.ALPHA.)-
- 387-59-7
- Q27269745
- 6-FLUORO-11,17,21-TRIHYDROXY-16-METHYLPREGN-4-ENE-3,20-DIONE, (6.ALPHA.,11.BETA.,16.ALPHA.)-
- NS00041776
- 86K01RBU61
- SCHEMBL11311598
- 6.ALPHA.-FLUORO-16.ALPHA.-METHYL-.DELTA.4-PREGNENE-11,17,21-TRIOL-3,20-DIONE
-
- Inchi： 1S/C22H31FO5/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-20(15,2)19(13)17(26)9-21(14,3)22(11,28)18(27)10-24/h7,11,13-14,16-17,19,24,26,28H,4-6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20+,21+,22+/m1/s1
- InChI Key： JXOONFORBFAKIN-AFYJWTTESA-N
- SMILES： F[C@@H]1C2=CC(CC[C@]2(C)[C@H]2[C@H](C[C@]3(C)[C@@](C(CO)=O)([C@H](C)C[C@H]3[C@@H]2C1)O)O)=O
Computed Properties
- Exact Mass: 394.21600
- Monoisotopic Mass: 394.21555225g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 28
- Rotatable Bond Count: 2
- Complexity: 749
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 94.8?2
Experimental Properties
- PSA: 94.83000
- LogP: 1.97560
Pregn-4-ene-3,20-dione,6-fluoro-11,17,21-trihydroxy-16-methyl-, (6a,11b,16a)- (9CI) Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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