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Details

Stereochemistry EPIMERIC
Molecular Formula C24H34O6
Molecular Weight 418.5232
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 21-(ACETYLOXY)-11,17,20-TRIHYDROXY-6-METHYL-PREGNA-1,4-DIEN-3-ONE, (6.ALPHA.,11.BETA.)-

SMILES

[H][C@@]12CC[C@](O)(C(O)COC(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=PISINOWVXAIVLQ-BJMGDWJDSA-N
InChI=1S/C24H34O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19-21,27-29H,6,8-9,11-12H2,1-4H3/t13-,16-,17-,19-,20?,21+,22-,23-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H34O6
Molecular Weight 418.5232
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 8 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:43:33 UTC 2023
Edited
by admin
on Sat Dec 16 18:43:33 UTC 2023
Record UNII
YX889TZN32
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
21-(ACETYLOXY)-11,17,20-TRIHYDROXY-6-METHYL-PREGNA-1,4-DIEN-3-ONE, (6.ALPHA.,11.BETA.)-
Common Name English
METHYLPREDNISOLONE ACETATE IMPURITY A [EP IMPURITY]
Common Name English
PREGNA-1,4-DIEN-3-ONE, 21-(ACETYLOXY)-11,17,20-TRIHYDROXY-6-METHYL-, (6.ALPHA.,11.BETA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
YX889TZN32
Created by admin on Sat Dec 16 18:43:33 UTC 2023 , Edited by admin on Sat Dec 16 18:43:33 UTC 2023
PRIMARY
CAS
151003-82-6
Created by admin on Sat Dec 16 18:43:33 UTC 2023 , Edited by admin on Sat Dec 16 18:43:33 UTC 2023
PRIMARY
PUBCHEM
157010695
Created by admin on Sat Dec 16 18:43:33 UTC 2023 , Edited by admin on Sat Dec 16 18:43:33 UTC 2023
PRIMARY
Related Record Type Details
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EP