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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H31F3O7
Molecular Weight 512.5153
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6,6,9A-TRIFLUORO-11.BETA.,16.ALPHA.,17.ALPHA.,21-TETRAHYDROXY-1,4-PREGNADIEN-3,20-DIONE-21-ACETATE 16,17-ACETONIDE

SMILES

[H][C@@]12C[C@H]3OC(C)(C)O[C@@]3(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]4(F)[C@@]2([H])CC(F)(F)C5=CC(=O)C=C[C@]45C

InChI

InChIKey=DWKVEHKKYLCIDJ-SQNISSEFSA-N
InChI=1S/C26H31F3O7/c1-13(30)34-12-19(33)26-20(35-21(2,3)36-26)9-15-16-10-24(27,28)17-8-14(31)6-7-22(17,4)25(16,29)18(32)11-23(15,26)5/h6-8,15-16,18,20,32H,9-12H2,1-5H3/t15-,16-,18-,20+,22-,23-,25-,26+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
6,6,9A-TRIFLUORO-11.BETA.,16.ALPHA.,17.ALPHA.,21-TETRAHYDROXY-1,4-PREGNADIEN-3,20-DIONE-21-ACETATE 16,17-ACETONIDE
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 21-(ACETYLOXY)-6,6,9-TRIFLUORO-11-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-, (11.BETA.,16.ALPHA.)-
Systematic Name English
6,6,9A-TRIFLUORO-11B,16A,17A,21-TETRAHYDROXYPREGNA-1,4-DIENE-3,20-DIONE-16,17-ACETONIDE-21-ACETATE
Common Name English
Code System Code Type Description
FDA UNII
3A8QY089XN
Created by admin on Fri Dec 15 15:22:12 GMT 2023 , Edited by admin on Fri Dec 15 15:22:12 GMT 2023
PRIMARY
CAS
37502-10-6
Created by admin on Fri Dec 15 15:22:12 GMT 2023 , Edited by admin on Fri Dec 15 15:22:12 GMT 2023
PRIMARY
PUBCHEM
117587623
Created by admin on Fri Dec 15 15:22:12 GMT 2023 , Edited by admin on Fri Dec 15 15:22:12 GMT 2023
PRIMARY