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Details

Stereochemistry RACEMIC
Molecular Formula C20H18O6
Molecular Weight 354.3533
Optical Activity ( + / - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SESAMIN, (±)-

SMILES

[H][C@]12CO[C@H](C3=CC4=C(OCO4)C=C3)[C@@]1([H])CO[C@@H]2C5=CC6=C(OCO6)C=C5

InChI

InChIKey=PEYUIKBAABKQKQ-AFHBHXEDSA-N
InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
SESAMIN, (±)-
Common Name English
SESAMIN DL-FORM [MI]
Common Name English
1,3-BENZODIOXOLE, 5,5'-(TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1,4-DIYL)BIS-, (1.ALPHA.,3A.ALPHA.,4.ALPHA.,6A.ALPHA.)-(±)-
Common Name English
1,3-BENZODIOXOLE, 5,5'-((1R,3AS,4R,6AS)-TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1,4-DIYL)BIS-, REL-
Common Name English
(±)-SESAMIN
Common Name English
1,3-BENZODIOXOLE, 5,5'-(TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1,4-DIYL)BIS-, (1.ALPHA.,3A.ALPHA.,4.ALPHA.,6A.ALPHA.)-
Common Name English
REL-(7S,7'S,8R,8'R)-SESAMIN
Common Name English
Code System Code Type Description
CAS
81602-22-4
Created by admin on Sat Dec 16 05:30:25 UTC 2023 , Edited by admin on Sat Dec 16 05:30:25 UTC 2023
PRIMARY
EPA CompTox
DTXSID80231219
Created by admin on Sat Dec 16 05:30:25 UTC 2023 , Edited by admin on Sat Dec 16 05:30:25 UTC 2023
PRIMARY
FDA UNII
FY3S29JVC9
Created by admin on Sat Dec 16 05:30:25 UTC 2023 , Edited by admin on Sat Dec 16 05:30:25 UTC 2023
PRIMARY
MERCK INDEX
m9879
Created by admin on Sat Dec 16 05:30:25 UTC 2023 , Edited by admin on Sat Dec 16 05:30:25 UTC 2023
PRIMARY Merck Index
PUBCHEM
72307
Created by admin on Sat Dec 16 05:30:25 UTC 2023 , Edited by admin on Sat Dec 16 05:30:25 UTC 2023
PRIMARY