U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H30O6
Molecular Weight 390.47
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (6.ALPHA.,11.BETA.,20S)-11,17,20-TRIHYDROXY-6-METHYL-3-OXOPREGNA-1,4-DIEN-21-OIC ACID

SMILES

[H][C@@]12CC[C@](O)(C(=O)C(O)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=YGQIQVGIXHWRFV-XLECKLAMSA-N
InChI=1S/C22H30O6/c1-11-8-13-14-5-7-22(28,18(25)19(26)27)21(14,3)10-16(24)17(13)20(2)6-4-12(23)9-15(11)20/h4,6,9,11,13-14,16-17,19,24,26-28H,5,7-8,10H2,1-3H3/t11-,13-,14-,16-,17+,20-,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H30O6
Molecular Weight 390.47
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 10:38:11 UTC 2023
Edited
by admin
on Sat Dec 16 10:38:11 UTC 2023
Record UNII
D6B7O7187C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(6.ALPHA.,11.BETA.,20S)-11,17,20-TRIHYDROXY-6-METHYL-3-OXOPREGNA-1,4-DIEN-21-OIC ACID
Systematic Name English
METHYLPREDNISOLONE ACETAL
Common Name English
METHYLPREDNISOLONE IMPURITY B [EP IMPURITY]
Common Name English
11.BETA.,17,21,21-TETRAHYDROXY-6.ALPHA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE
Systematic Name English
PREGNA-1,4-DIEN-21-OIC ACID, 11,17,20-TRIHYDROXY-6-METHYL-3-OXO-, (6.ALPHA.,11.BETA.,20S)-
Systematic Name English
Code System Code Type Description
FDA UNII
D6B7O7187C
Created by admin on Sat Dec 16 10:38:11 UTC 2023 , Edited by admin on Sat Dec 16 10:38:11 UTC 2023
PRIMARY
PUBCHEM
139301794
Created by admin on Sat Dec 16 10:38:11 UTC 2023 , Edited by admin on Sat Dec 16 10:38:11 UTC 2023
PRIMARY
CAS
65644-79-3
Created by admin on Sat Dec 16 10:38:11 UTC 2023 , Edited by admin on Sat Dec 16 10:38:11 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP