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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H38O8
Molecular Weight 490.5858
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,2-DIHYDROPREDNICARBATE

SMILES

[H][C@@]12CC[C@](OC(=O)OCC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]3([H])[C@@]2([H])CCC4=CC(=O)CC[C@]34C

InChI

InChIKey=BPAMAIXNRIHJGN-KAJVQRHHSA-N
InChI=1S/C27H38O8/c1-5-22(31)34-15-21(30)27(35-24(32)33-6-2)12-10-19-18-8-7-16-13-17(28)9-11-25(16,3)23(18)20(29)14-26(19,27)4/h13,18-20,23,29H,5-12,14-15H2,1-4H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H38O8
Molecular Weight 490.5858
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 Sat Dec 16 19:11:57 UTC 2023
Edited
by admin
on Sat Dec 16 19:11:57 UTC 2023
Record UNII
CAE8FU446V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2-DIHYDROPREDNICARBATE
Common Name English
11.BETA.-HYDROXY-3,20-DIOXOPREGN-4-ENE-17,21-DIYL 17-(ETHYL CARBONATE) 21-PROPANOATE
Systematic Name English
PREDNICARBATE IMPURITY F [EP IMPURITY]
Common Name English
PREGN-4-ENE-3,20-DIONE, 17-((ETHOXYCARBONYL)OXY)-11-HYDROXY-21-(1-OXOPROPOXY)-, (11.BETA.)-
Systematic Name English
PREDNICARBATE RELATED COMPOUND A [USP IMPURITY]
Common Name English
CORTISOL 17-(ETHYL CARBONATE) 21-PROPIONATE
Common Name English
Code System Code Type Description
PUBCHEM
124637835
Created by admin on Sat Dec 16 19:11:57 UTC 2023 , Edited by admin on Sat Dec 16 19:11:57 UTC 2023
PRIMARY
RS_ITEM_NUM
1554910
Created by admin on Sat Dec 16 19:11:57 UTC 2023 , Edited by admin on Sat Dec 16 19:11:57 UTC 2023
PRIMARY
FDA UNII
CAE8FU446V
Created by admin on Sat Dec 16 19:11:57 UTC 2023 , Edited by admin on Sat Dec 16 19:11:57 UTC 2023
PRIMARY
CAS
671225-26-6
Created by admin on Sat Dec 16 19:11:57 UTC 2023 , Edited by admin on Sat Dec 16 19:11:57 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP