InChI=1S/C23H29FO6/c1-12(25)30-11-19(28)23(29)7-5-15-14-9-17(24)16-8-13(26)4-6-21(16,2)20(14)18(27)10-22(15,23)3/h4,6,8,14-15,17-18,20,27,29H,5,7,9-11H2,1-3H3/t14-,15-,17-,18-,20+,21-,22-,23-/m0/s1

【InChIKey】

InChIKey=CYMBAKFTWRNHPS-APRQOCPKSA-N

【SMILES】

CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)F)O)C)O

【MOL File】

6ALPHA-FLUOROPREDNIS….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:2

H bond acceptor:6

XLogP3:2.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

6ALPHA-FLUOROPREDNISOLONE ACETATE.cml

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570-36-5 6ALPHA-FLUOROPREDNISOLONE ACETATE

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】