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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H26O7
Molecular Weight 390.4269
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,3-DIHYDRO-2-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-3-(HYDROXYMETHYL)-7-METHOXY-5-BENZOFURANPROPANOL, (2R,3S)-

SMILES

COC1=CC(CCCO)=CC2=C1O[C@H]([C@@H]2CO)C3=CC(OC)=C(O)C(OC)=C3

InChI

InChIKey=FVHJOQIXLMDURD-QRWLVFNGSA-N
InChI=1S/C21H26O7/c1-25-16-9-13(10-17(26-2)19(16)24)20-15(11-23)14-7-12(5-4-6-22)8-18(27-3)21(14)28-20/h7-10,15,20,22-24H,4-6,11H2,1-3H3/t15-,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H26O7
Molecular Weight 390.4269
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 10:00:09 UTC 2023
Edited
by admin
on Sat Dec 16 10:00:09 UTC 2023
Record UNII
6QTL5BKF4T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3-DIHYDRO-2-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-3-(HYDROXYMETHYL)-7-METHOXY-5-BENZOFURANPROPANOL, (2R,3S)-
Systematic Name English
5-BENZOFURANPROPANOL, 2,3-DIHYDRO-2-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-3-(HYDROXYMETHYL)-7-METHOXY-, (2R,3S)-
Systematic Name English
(+)-(7R,8S)-5-METHOXY-DIHYDRODEHYDROCONIFERYL ALCOHOL
Common Name English
(+)-5-METHOXY-TRANS-DIHYDRODEHYDRODICONIFERYL ALCOHOL
Common Name English
(2R,3S)-2,3-DIHYDRO-2-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-3-(HYDROXYMETHYL)-7-METHOXY-5-BENZOFURANPROPANOL
Systematic Name English
Code System Code Type Description
PUBCHEM
162919261
Created by admin on Sat Dec 16 10:00:09 UTC 2023 , Edited by admin on Sat Dec 16 10:00:09 UTC 2023
PRIMARY
CAS
871711-78-3
Created by admin on Sat Dec 16 10:00:09 UTC 2023 , Edited by admin on Sat Dec 16 10:00:09 UTC 2023
PRIMARY
FDA UNII
6QTL5BKF4T
Created by admin on Sat Dec 16 10:00:09 UTC 2023 , Edited by admin on Sat Dec 16 10:00:09 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
1,1-Diphenyl-2-picrylhydrazyl radical scavenging assay(DPPH) IC50 expressed as ug/mL = (Not tested due to the limited samples available). In vitro hydroxyl radical scavenging assay(Hydroxy Radical) IC50 expressed as ug/mL = 0.98+/-0.05.