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Details

Stereochemistry MIXED
Molecular Formula C32H42O7
Molecular Weight 538.6717
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2′R)-2′-[(1RS)-cyclohex-3-enyl]-11β-hydroxy-3,20-dioxo-16βH-[1,3]dioxolo[4′,5′:16,17]pregna-1,4-dien-21-yl 2-methylpropanoate

SMILES

[H][C@@]12C[C@H]3OC(O[C@@]3(C(=O)COC(=O)C(C)C)[C@@]1(C)C[C@H](O)[C@@]4([H])[C@@]2([H])CCC5=CC(=O)C=C[C@]45C)C6CCC=CC6

InChI

InChIKey=KYVYPETUNWCRSM-GBKZPMAZSA-N
InChI=1S/C32H42O7/c1-18(2)28(36)37-17-25(35)32-26(38-29(39-32)19-8-6-5-7-9-19)15-23-22-11-10-20-14-21(33)12-13-30(20,3)27(22)24(34)16-31(23,32)4/h5-6,12-14,18-19,22-24,26-27,29,34H,7-11,15-17H2,1-4H3/t19?,22-,23-,24-,26+,27+,29?,30-,31-,32+/m0/s1

HIDE SMILES / InChI

Molecular Formula C32H42O7
Molecular Weight 538.6717
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 8 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jul 07 00:57:34 UTC 2023
Edited
by admin
on Fri Jul 07 00:57:34 UTC 2023
Record UNII
XQ8QTC4UK8
Record Status Validated (UNII)
Record Version
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Name Type Language
(2′R)-2′-[(1RS)-cyclohex-3-enyl]-11β-hydroxy-3,20-dioxo-16βH-[1,3]dioxolo[4′,5′:16,17]pregna-1,4-dien-21-yl 2-methylpropanoate
Systematic Name English
CICLESONIDE IMPURITY C [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
XQ8QTC4UK8
Created by admin on Fri Jul 07 00:57:34 UTC 2023 , Edited by admin on Fri Jul 07 00:57:34 UTC 2023
PRIMARY
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