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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H30O5
Molecular Weight 374.4714
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 11.ALPHA.,17,21-TRIHYDROXY-16.BETA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE

SMILES

C[C@@]1([H])C[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3([H])[C@@]([H])(C[C@]2(C)[C@]1(C(=O)CO)O)O

InChI

InChIKey=WNYLPFCKNQAAMB-OWUXUVPTSA-N
InChI=1S/C22H30O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,12,15-17,19,23,25,27H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17+,19+,20-,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H30O5
Molecular Weight 374.4714
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 00:45:02 UTC 2021
Edited
by admin
on Sat Jun 26 00:45:02 UTC 2021
Record UNII
42T3SU12QH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
11.ALPHA.,17,21-TRIHYDROXY-16.BETA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE
Systematic Name English
PREGNA-1,4-DIENE-3,20-DIONE, 11,17,21-TRIHYDROXY-16-METHYL-, (11.ALPHA.,16.BETA.)-
Systematic Name English
BETAMETHASONE IMPURITY G [EP]
Common Name English
Code System Code Type Description
PUBCHEM
10959713
Created by admin on Sat Jun 26 00:45:02 UTC 2021 , Edited by admin on Sat Jun 26 00:45:02 UTC 2021
PRIMARY
CAS
85700-75-0
Created by admin on Sat Jun 26 00:45:02 UTC 2021 , Edited by admin on Sat Jun 26 00:45:02 UTC 2021
PRIMARY
EPA CompTox
85700-75-0
Created by admin on Sat Jun 26 00:45:02 UTC 2021 , Edited by admin on Sat Jun 26 00:45:02 UTC 2021
PRIMARY
FDA UNII
42T3SU12QH
Created by admin on Sat Jun 26 00:45:02 UTC 2021 , Edited by admin on Sat Jun 26 00:45:02 UTC 2021
PRIMARY
ECHA (EC/EINECS)
288-238-3
Created by admin on Sat Jun 26 00:45:02 UTC 2021 , Edited by admin on Sat Jun 26 00:45:02 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP