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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H24O6
Molecular Weight 372.4117
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ARCTIGENIN, (+)-

SMILES

COC1=CC=C(C[C@@H]2COC(=O)[C@H]2CC3=CC(OC)=C(O)C=C3)C=C1OC

InChI

InChIKey=NQWVSMVXKMHKTF-CVEARBPZSA-N
InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H24O6
Molecular Weight 372.4117
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 06:18:28 GMT 2023
Edited
by admin
on Sat Dec 16 06:18:28 GMT 2023
Record UNII
695QU32V04
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ARCTIGENIN, (+)-
Common Name English
2(3H)-FURANONE, 4-((3,4-DIMETHOXYPHENYL)METHYL)DIHYDRO-3-((4-HYDROXY-3-METHOXYPHENYL)METHYL)-, (3S,4S)-
Systematic Name English
(+)-ARCTIGENIN
Common Name English
2(3H)-FURANONE, 4-((3,4-DIMETHOXYPHENYL)METHYL)DIHYDRO-3-((4-HYDROXY-3-METHOXYPHENYL)METHYL)-, (3S-TRANS)-
Systematic Name English
ARCTIGENIN, TRANS-(+)-
Common Name English
Code System Code Type Description
PUBCHEM
28125531
Created by admin on Sat Dec 16 06:18:28 GMT 2023 , Edited by admin on Sat Dec 16 06:18:28 GMT 2023
PRIMARY
FDA UNII
695QU32V04
Created by admin on Sat Dec 16 06:18:28 GMT 2023 , Edited by admin on Sat Dec 16 06:18:28 GMT 2023
PRIMARY
CAS
84413-77-4
Created by admin on Sat Dec 16 06:18:28 GMT 2023 , Edited by admin on Sat Dec 16 06:18:28 GMT 2023
PRIMARY
EPA CompTox
DTXSID50233381
Created by admin on Sat Dec 16 06:18:28 GMT 2023 , Edited by admin on Sat Dec 16 06:18:28 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
ENANTIOMER -> ENANTIOMER