InChI=1S/C24H33FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h9,15-17,19,26,28H,5-8,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1

【InChIKey】

InChIKey=TZFZVQNBXVBQDC-JNQJZLCISA-N

【SMILES】

CC1(O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@@]5([C@]4([C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)F)C)C

【MOL File】

9-FLUORO-16A,17-(ISO….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

9-FLUORO-16A,17-(ISOPROPYLIDENEDIOXY)CORTICOSTERONE.cml

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1524-86-3 9-FLUORO-16A,17-(ISOPROPYLIDENEDIOXY)CORTICOSTERONE

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】