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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H28O4
Molecular Weight 344.4446
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .DELTA.'-DEHYDROCORTEXOLONE

SMILES

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

InChI

InChIKey=BVAYTJBBDODANA-OBQKJFGGSA-N
InChI=1S/C21H28O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h5,8,11,15-17,22,25H,3-4,6-7,9-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H28O4
Molecular Weight 344.4446
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 18:55:30 GMT 2023
Edited
by admin
on Sat Dec 16 18:55:30 GMT 2023
Record UNII
T89KRT8XVE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.DELTA.'-DEHYDROCORTEXOLONE
Common Name English
.DELTA.1,4-REICHSTEIN S
Common Name English
11-DEOXYPREDNISOLONE
Common Name English
17.ALPHA.,21-DIHYDROXYPREGN-1,4-DIEN-3,20-DIONE
Systematic Name English
PREDNISOLONE IMPURITY J [EP IMPURITY]
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 17,21-DIHYDROXY-
Systematic Name English
17,21-DIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE
Systematic Name English
Code System Code Type Description
CAS
1807-14-3
Created by admin on Sat Dec 16 18:55:30 GMT 2023 , Edited by admin on Sat Dec 16 18:55:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID60616888
Created by admin on Sat Dec 16 18:55:30 GMT 2023 , Edited by admin on Sat Dec 16 18:55:30 GMT 2023
PRIMARY
FDA UNII
T89KRT8XVE
Created by admin on Sat Dec 16 18:55:30 GMT 2023 , Edited by admin on Sat Dec 16 18:55:30 GMT 2023
PRIMARY
PUBCHEM
21679441
Created by admin on Sat Dec 16 18:55:30 GMT 2023 , Edited by admin on Sat Dec 16 18:55:30 GMT 2023
PRIMARY
Related Record Type Details
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