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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H28O4
Molecular Weight 356.4553
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-HYDROXY-6-METHYL-3,20-DIOXOPREGNA-1,4-DIEN-20-AL, (6.ALPHA.,11.BETA.)-

SMILES

[H][C@@]12CC[C@H](C(=O)C=O)[C@@]1(C)C[C@H](O)[C@@]3([H])[C@@]2([H])C[C@H](C)C4=CC(=O)C=C[C@]34C

InChI

InChIKey=SAEWKRGIAWAQEZ-KECPGXPTSA-N
InChI=1S/C22H28O4/c1-12-8-14-15-4-5-16(19(26)11-23)22(15,3)10-18(25)20(14)21(2)7-6-13(24)9-17(12)21/h6-7,9,11-12,14-16,18,20,25H,4-5,8,10H2,1-3H3/t12-,14-,15-,16+,18-,20+,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H28O4
Molecular Weight 356.4553
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 Sat Dec 16 18:32:10 GMT 2023
Edited
by admin
on Sat Dec 16 18:32:10 GMT 2023
Record UNII
AN29UJ9GKU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-HYDROXY-6-METHYL-3,20-DIOXOPREGNA-1,4-DIEN-20-AL, (6.ALPHA.,11.BETA.)-
Systematic Name English
METHYLPREDNISOLONE ACETATE IMPURITY D [EP IMPURITY]
Common Name English
(6.ALPHA.,11.BETA.)-11-HYDROXY-6-METHYL-3,20-DIOXOPREGNA-1,4-DIEN-20-AL
Systematic Name English
PREGNA-1,4-DIEN-20-AL, 11-HYDROXY-6-METHYL-3,20-DIOXO-, (6.ALPHA.,11.BETA.)-
Systematic Name English
11.BETA.-HYDROXY-6.ALPHA.-METHYLPREGNA-1,4-DIENE-3,20,21-TRIONE
Systematic Name English
Code System Code Type Description
CAS
150899-33-5
Created by admin on Sat Dec 16 18:32:10 GMT 2023 , Edited by admin on Sat Dec 16 18:32:10 GMT 2023
PRIMARY
FDA UNII
AN29UJ9GKU
Created by admin on Sat Dec 16 18:32:10 GMT 2023 , Edited by admin on Sat Dec 16 18:32:10 GMT 2023
PRIMARY
PUBCHEM
101658435
Created by admin on Sat Dec 16 18:32:10 GMT 2023 , Edited by admin on Sat Dec 16 18:32:10 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP