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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H18O6
Molecular Weight 342.3426
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SESAMIN MONOCATECHOL

SMILES

OC1=C(O)C=C(C=C1)[C@H]2OC[C@H]3[C@@H]2CO[C@@H]3C4=CC=C5OCOC5=C4

InChI

InChIKey=CGEORJKFOZSMEZ-MBZVMHRFSA-N
InChI=1S/C19H18O6/c20-14-3-1-10(5-15(14)21)18-12-7-23-19(13(12)8-22-18)11-2-4-16-17(6-11)25-9-24-16/h1-6,12-13,18-21H,7-9H2/t12-,13-,18+,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H18O6
Molecular Weight 342.3426
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 Wed Apr 02 06:05:54 GMT 2025
Edited
by admin
on Wed Apr 02 06:05:54 GMT 2025
Record UNII
F8YB79JA5A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SESAMIN MONOCATECHOL
Common Name English
1,2-BENZENEDIOL, 4-((1S,3AR,4S,6AR)-4-(1,3-BENZODIOXOL-5-YL)TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1-YL)-
Preferred Name English
4-((1S,3AR,4S,6AR)-4-(1,3-BENZODIOXOL-5-YL)TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1-YL)-1,2-BENZENEDIOL
Systematic Name English
1,2-BENZENEDIOL, 4-(4-(1,3-BENZODIOXOL-5-YL)TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1-YL)-, (1S-(1.ALPHA.,3A.ALPHA.,4.ALPHA.,6A.ALPHA.))-
Systematic Name English
Code System Code Type Description
FDA UNII
F8YB79JA5A
Created by admin on Wed Apr 02 06:05:54 GMT 2025 , Edited by admin on Wed Apr 02 06:05:54 GMT 2025
PRIMARY
PUBCHEM
46917407
Created by admin on Wed Apr 02 06:05:54 GMT 2025 , Edited by admin on Wed Apr 02 06:05:54 GMT 2025
PRIMARY
CAS
170713-44-7
Created by admin on Wed Apr 02 06:05:54 GMT 2025 , Edited by admin on Wed Apr 02 06:05:54 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE