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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H30O6
Molecular Weight 378.4601
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (11.BETA.)-11,14,17,21-TETRAHYDROXYPREGN-4-ENE-3,20-DIONE

SMILES

C[C@@]12CCC(=O)C=C2CC[C@]3([H])[C@]1([H])[C@]([H])(C[C@@]4(C)[C@]3(CC[C@@]4(C(=O)CO)O)O)O

InChI

InChIKey=TUUSWKVBOMQUNJ-CNPAUTQISA-N
InChI=1S/C21H30O6/c1-18-6-5-13(23)9-12(18)3-4-14-17(18)15(24)10-19(2)20(14,26)7-8-21(19,27)16(25)11-22/h9,14-15,17,22,24,26-27H,3-8,10-11H2,1-2H3/t14-,15+,17-,18+,19+,20-,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H30O6
Molecular Weight 378.4601
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 21:25:13 UTC 2021
Edited
by admin
on Fri Jun 25 21:25:13 UTC 2021
Record UNII
VB67AM3EJF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(11.BETA.)-11,14,17,21-TETRAHYDROXYPREGN-4-ENE-3,20-DIONE
Systematic Name English
HYDROCORTISONE IMPURITY I [EP]
Common Name English
14.ALPHA.-HYDROXYCORTISOL
Common Name English
14.ALPHA.-HYDROXYHYDROCORTISONE
Common Name English
PREGN-4-ENE-3,20-DIONE, 11,14,17,21-TETRAHYDROXY-, (11.BETA.)-
Systematic Name English
Code System Code Type Description
PUBCHEM
122715419
Created by admin on Fri Jun 25 21:25:13 UTC 2021 , Edited by admin on Fri Jun 25 21:25:13 UTC 2021
PRIMARY
FDA UNII
VB67AM3EJF
Created by admin on Fri Jun 25 21:25:13 UTC 2021 , Edited by admin on Fri Jun 25 21:25:13 UTC 2021
PRIMARY
CAS
103795-84-2
Created by admin on Fri Jun 25 21:25:13 UTC 2021 , Edited by admin on Fri Jun 25 21:25:13 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP