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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H26O7
Molecular Weight 402.4376
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HABENARIOL

SMILES

CC(C)C[C@@](O)(CC(=O)OCC1=CC=C(O)C=C1)C(=O)OCC2=CC=C(O)C=C2

InChI

InChIKey=IKKNRVAESCIIGG-JOCHJYFZSA-N
InChI=1S/C22H26O7/c1-15(2)11-22(27,21(26)29-14-17-5-9-19(24)10-6-17)12-20(25)28-13-16-3-7-18(23)8-4-16/h3-10,15,23-24,27H,11-14H2,1-2H3/t22-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H26O7
Molecular Weight 402.4376
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 10:31:17 GMT 2025
Edited
by admin
on Wed Apr 02 10:31:17 GMT 2025
Record UNII
ZQ3HW7236N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,4-BIS((4-HYDROXYPHENYL)METHYL) (2R)-2-HYDROXY-2-(2-METHYLPROPYL)BUTANEDIOATE
Preferred Name English
HABENARIOL
Common Name English
BUTANEDIOIC ACID, 2-HYDROXY-2-(2-METHYLPROPYL)-, BIS((4-HYDROXYPHENYL)METHYL) ESTER, (2R)-
Systematic Name English
Code System Code Type Description
WIKIPEDIA
Habenariol
Created by admin on Wed Apr 02 10:31:17 GMT 2025 , Edited by admin on Wed Apr 02 10:31:17 GMT 2025
PRIMARY
EPA CompTox
DTXSID501045775
Created by admin on Wed Apr 02 10:31:17 GMT 2025 , Edited by admin on Wed Apr 02 10:31:17 GMT 2025
PRIMARY
FDA UNII
ZQ3HW7236N
Created by admin on Wed Apr 02 10:31:17 GMT 2025 , Edited by admin on Wed Apr 02 10:31:17 GMT 2025
PRIMARY
PUBCHEM
142913699
Created by admin on Wed Apr 02 10:31:17 GMT 2025 , Edited by admin on Wed Apr 02 10:31:17 GMT 2025
PRIMARY
CAS
216752-89-5
Created by admin on Wed Apr 02 10:31:17 GMT 2025 , Edited by admin on Wed Apr 02 10:31:17 GMT 2025
PRIMARY