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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H18O6
Molecular Weight 330.3319
Optical Activity ( - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SESAMIN DICATECHOL

SMILES

[H][C@]12CO[C@H](C3=CC(O)=C(O)C=C3)[C@@]1([H])CO[C@@H]2C4=CC(O)=C(O)C=C4

InChI

InChIKey=OQSOTSIYXPYTRE-YDOWWZDFSA-N
InChI=1S/C18H18O6/c19-13-3-1-9(5-15(13)21)17-11-7-24-18(12(11)8-23-17)10-2-4-14(20)16(22)6-10/h1-6,11-12,17-22H,7-8H2/t11-,12-,17+,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H18O6
Molecular Weight 330.3319
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 Sat Dec 16 15:40:01 GMT 2023
Edited
by admin
on Sat Dec 16 15:40:01 GMT 2023
Record UNII
Y5Y6335JEF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SESAMIN DICATECHOL
Common Name English
4,4'-((1S,3AR,4S,6AR)-TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1,4-DIYL)BIS(1,2-BENZENEDIOL)
Systematic Name English
(-)-3,3'-BISDEMETHYLPINORESINOL
Common Name English
SESAMIN METABOLITE 1
Common Name English
1,2-BENZENEDIOL, 4,4'-((1S,3AR,4S,6AR)-TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1,4-DIYL)BIS-
Systematic Name English
Code System Code Type Description
CAS
340167-81-9
Created by admin on Sat Dec 16 15:40:02 GMT 2023 , Edited by admin on Sat Dec 16 15:40:02 GMT 2023
PRIMARY
PUBCHEM
46881231
Created by admin on Sat Dec 16 15:40:02 GMT 2023 , Edited by admin on Sat Dec 16 15:40:02 GMT 2023
PRIMARY
FDA UNII
Y5Y6335JEF
Created by admin on Sat Dec 16 15:40:02 GMT 2023 , Edited by admin on Sat Dec 16 15:40:02 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE