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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H22O4
Molecular Weight 290.3542
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACETYLISOMERULIDIAL

SMILES

CC(=O)O[C@H]1[C@@H]2CC(C)(C)CC2=C(C=O)[C@@]3(C[C@]13C)C=O

InChI

InChIKey=MJXHKPSYLUUZDJ-JWZBEHFJSA-N
InChI=1S/C17H22O4/c1-10(20)21-14-12-6-15(2,3)5-11(12)13(7-18)17(9-19)8-16(14,17)4/h7,9,12,14H,5-6,8H2,1-4H3/t12-,14+,16-,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H22O4
Molecular Weight 290.3542
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:40:33 GMT 2025
Edited
by admin
on Tue Apr 01 19:40:33 GMT 2025
Record UNII
T3RFD8ZG68
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACETYLISOMERULIDIAL
Preferred Name English
Code System Code Type Description
FDA UNII
T3RFD8ZG68
Created by admin on Tue Apr 01 19:40:33 GMT 2025 , Edited by admin on Tue Apr 01 19:40:33 GMT 2025
PRIMARY
PUBCHEM
147697
Created by admin on Tue Apr 01 19:40:33 GMT 2025 , Edited by admin on Tue Apr 01 19:40:33 GMT 2025
PRIMARY
CAS
121843-90-1
Created by admin on Tue Apr 01 19:40:33 GMT 2025 , Edited by admin on Tue Apr 01 19:40:33 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY