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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H20O6
Molecular Weight 356.3692
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SESAMIN MONOCATECHOL 4-METHYLATE

SMILES

[H][C@]12CO[C@H](C3=CC(O)=C(OC)C=C3)[C@@]1([H])CO[C@@H]2C4=CC5=C(OCO5)C=C4

InChI

InChIKey=BURBOJZOZGMMQF-AFHBHXEDSA-N
InChI=1S/C20H20O6/c1-22-16-4-2-11(6-15(16)21)19-13-8-24-20(14(13)9-23-19)12-3-5-17-18(7-12)26-10-25-17/h2-7,13-14,19-21H,8-10H2,1H3/t13-,14-,19+,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H20O6
Molecular Weight 356.3692
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 15:20:27 GMT 2023
Edited
by admin
on Sat Dec 16 15:20:27 GMT 2023
Record UNII
E5BR8J47PC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SESAMIN MONOCATECHOL 4-METHYLATE
Common Name English
5-((1S,3AR,4S,6AR)-4-(1,3-BENZODIOXOL-5-YL)TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1-YL)-2-METHOXYPHENOL
Systematic Name English
PHENOL, 5-((1S,3AR,4S,6AR)-4-(1,3-BENZODIOXOL-5-YL)TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1-YL)-2-METHOXY-
Systematic Name English
Code System Code Type Description
CAS
1422248-74-5
Created by admin on Sat Dec 16 15:20:27 GMT 2023 , Edited by admin on Sat Dec 16 15:20:27 GMT 2023
PRIMARY
PUBCHEM
155804780
Created by admin on Sat Dec 16 15:20:27 GMT 2023 , Edited by admin on Sat Dec 16 15:20:27 GMT 2023
PRIMARY PUBCHEM
FDA UNII
E5BR8J47PC
Created by admin on Sat Dec 16 15:20:27 GMT 2023 , Edited by admin on Sat Dec 16 15:20:27 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE