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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H31FO6
Molecular Weight 410.4763
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9-FLUORO-11.BETA.,17,21-TRIHYDROXY-16.ALPHA.-METHOXYPREGN-4-ENE-3,20-DIONE

SMILES

CO[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO

InChI

InChIKey=KCAZWJIALKKGPU-VXAJXXRKSA-N
InChI=1S/C22H31FO6/c1-19-7-6-13(25)8-12(19)4-5-14-15-9-18(29-3)22(28,17(27)11-24)20(15,2)10-16(26)21(14,19)23/h8,14-16,18,24,26,28H,4-7,9-11H2,1-3H3/t14-,15-,16-,18+,19-,20-,21-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H31FO6
Molecular Weight 410.4763
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
5T54A87DBK
Record Status Validated (UNII)
Record Version