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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H30O5
Molecular Weight 374.4706
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 11.BETA.,17,21-TRIHYDROXY-6.BETA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE

SMILES

[H][C@@]12CC[C@](O)(C(=O)CO)[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=VHRSUDSXCMQTMA-DZDRLISQSA-N
InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14+,15+,17+,19-,20+,21+,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H30O5
Molecular Weight 374.4706
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 15:16:20 UTC 2023
Edited
by admin
on Sat Dec 16 15:16:20 UTC 2023
Record UNII
2RLH33V7DG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
11.BETA.,17,21-TRIHYDROXY-6.BETA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE
Systematic Name English
11.BETA.,17.ALPHA.,21-TRIHYDROXY-6.BETA.-METHYL-PREGNANE-1,4-DIENE-3,20-DIONE
Systematic Name English
PREGNA-1,4-DIENE-3,20-DIONE, 11,17,21-TRIHYDROXY-6-METHYL-, (6.BETA.,11.BETA.)-
Systematic Name English
6.BETA.-METHYLPREDNISOLONE
Common Name English
METHYLPREDNISOLONE IMPURITY H [EP IMPURITY]
Common Name English
Code System Code Type Description
CAS
18462-27-6
Created by admin on Sat Dec 16 15:16:21 UTC 2023 , Edited by admin on Sat Dec 16 15:16:21 UTC 2023
PRIMARY
EPA CompTox
DTXSID10859122
Created by admin on Sat Dec 16 15:16:21 UTC 2023 , Edited by admin on Sat Dec 16 15:16:21 UTC 2023
PRIMARY
FDA UNII
2RLH33V7DG
Created by admin on Sat Dec 16 15:16:21 UTC 2023 , Edited by admin on Sat Dec 16 15:16:21 UTC 2023
PRIMARY
PUBCHEM
92754427
Created by admin on Sat Dec 16 15:16:21 UTC 2023 , Edited by admin on Sat Dec 16 15:16:21 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
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EP