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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H33FO6
Molecular Weight 460.535
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 21-DESACETYL AMCINONIDE

SMILES

[H][C@@]12C[C@H]3OC4(CCCC4)O[C@@]3(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]5(F)[C@@]2([H])CCC6=CC(=O)C=C[C@]56C

InChI

InChIKey=FLDUYPKFSAAGBK-LFZVSNMSSA-N
InChI=1S/C26H33FO6/c1-22-10-7-16(29)11-15(22)5-6-17-18-12-21-26(20(31)14-28,33-24(32-21)8-3-4-9-24)23(18,2)13-19(30)25(17,22)27/h7,10-11,17-19,21,28,30H,3-6,8-9,12-14H2,1-2H3/t17-,18-,19-,21+,22-,23-,25-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H33FO6
Molecular Weight 460.535
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:12:25 GMT 2023
Edited
by admin
on Fri Dec 15 15:12:25 GMT 2023
Record UNII
5V7D7KVX8B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
21-DESACETYL AMCINONIDE
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 16,17-(CYCLOPENTYLIDENEBIS(OXY))-9-FLUORO-11,21-DIHYDROXY-, (11.BETA.,16.ALPHA.)-
Systematic Name English
Code System Code Type Description
CAS
55646-99-6
Created by admin on Fri Dec 15 15:12:25 GMT 2023 , Edited by admin on Fri Dec 15 15:12:25 GMT 2023
PRIMARY
PUBCHEM
71315526
Created by admin on Fri Dec 15 15:12:25 GMT 2023 , Edited by admin on Fri Dec 15 15:12:25 GMT 2023
PRIMARY
EPA CompTox
DTXSID20747501
Created by admin on Fri Dec 15 15:12:25 GMT 2023 , Edited by admin on Fri Dec 15 15:12:25 GMT 2023
PRIMARY
FDA UNII
5V7D7KVX8B
Created by admin on Fri Dec 15 15:12:25 GMT 2023 , Edited by admin on Fri Dec 15 15:12:25 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY