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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H34F2O7
Molecular Weight 508.5515
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6.ALPHA.,9-DIFLUORO-11.BETA.,16.ALPHA.,17,21-TETRAHYDROXY-2-METHYLPREGNA-1,4-DIENE-3,20-DIONE 21-ACETATE ACETONE ACETAL

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])C[C@H](F)C5=CC(=O)C(C)=C[C@]45C

InChI

InChIKey=MNZHYOMSDWXKJC-JWEIYMOBSA-N
InChI=1S/C27H34F2O7/c1-13-10-24(5)17(8-19(13)31)18(28)7-16-15-9-22-27(36-23(3,4)35-22,21(33)12-34-14(2)30)25(15,6)11-20(32)26(16,24)29/h8,10,15-16,18,20,22,32H,7,9,11-12H2,1-6H3/t15-,16-,18-,20-,22+,24-,25-,26-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H34F2O7
Molecular Weight 508.5515
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:33:03 GMT 2023
Edited
by admin
on Fri Dec 15 15:33:03 GMT 2023
Record UNII
GPL09GLO9X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6.ALPHA.,9-DIFLUORO-11.BETA.,16.ALPHA.,17,21-TETRAHYDROXY-2-METHYLPREGNA-1,4-DIENE-3,20-DIONE 21-ACETATE ACETONE ACETAL
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 6.ALPHA.,9-DIFLUORO-11.BETA.,16.ALPHA.,17,21-TETRAHYDROXY-2-METHYL-, CYCLIC 16,17-ACETAL WITH ACETONE, 21-ACETATE
Common Name English
Code System Code Type Description
FDA UNII
GPL09GLO9X
Created by admin on Fri Dec 15 15:33:03 GMT 2023 , Edited by admin on Fri Dec 15 15:33:03 GMT 2023
PRIMARY
PUBCHEM
91617935
Created by admin on Fri Dec 15 15:33:03 GMT 2023 , Edited by admin on Fri Dec 15 15:33:03 GMT 2023
PRIMARY
CAS
14698-11-4
Created by admin on Fri Dec 15 15:33:03 GMT 2023 , Edited by admin on Fri Dec 15 15:33:03 GMT 2023
PRIMARY