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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H24O5
Molecular Weight 344.4016
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (17.ALPHA.)-17-HYDROXY-3,11-DIOXOANDROSTA-1,4-DIENE-17-CARBOXYLIC ACID

SMILES

[H][C@@]12CC[C@](O)(C(O)=O)[C@@]1(C)CC(=O)[C@@]3([H])[C@@]2([H])CCC4=CC(=O)C=C[C@]34C

InChI

InChIKey=VMPHCYUBONNNJN-ZHCMNPPYSA-N
InChI=1S/C20H24O5/c1-18-7-5-12(21)9-11(18)3-4-13-14-6-8-20(25,17(23)24)19(14,2)10-15(22)16(13)18/h5,7,9,13-14,16,25H,3-4,6,8,10H2,1-2H3,(H,23,24)/t13-,14-,16+,18-,19-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H24O5
Molecular Weight 344.4016
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:33:39 GMT 2023
Edited
by admin
on Sat Dec 16 15:33:39 GMT 2023
Record UNII
WGZ946T9TP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(17.ALPHA.)-17-HYDROXY-3,11-DIOXOANDROSTA-1,4-DIENE-17-CARBOXYLIC ACID
Common Name English
ANDROSTA-1,4-DIENE-17-CARBOXYLIC ACID, 17-HYDROXY-3,11-DIOXO-, (17.ALPHA.)-
Systematic Name English
PREDNISONE IMPURITY J [EP IMPURITY]
Common Name English
17.ALPHA.-HYDROXY-3,11-DIOXOANDROSTA-1,4-DIENE-17.BETA.-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
WGZ946T9TP
Created by admin on Sat Dec 16 15:33:39 GMT 2023 , Edited by admin on Sat Dec 16 15:33:39 GMT 2023
PRIMARY
CAS
78261-67-3
Created by admin on Sat Dec 16 15:33:39 GMT 2023 , Edited by admin on Sat Dec 16 15:33:39 GMT 2023
PRIMARY
PUBCHEM
11348495
Created by admin on Sat Dec 16 15:33:39 GMT 2023 , Edited by admin on Sat Dec 16 15:33:39 GMT 2023
PRIMARY
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