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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H24O6
Molecular Weight 360.401
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIHYDRODEHYDROCONIFERYL ALCOHOL, (7R,8S)-(-)-

SMILES

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

InChI

InChIKey=SBLZVJIHPWRSQQ-BEFAXECRSA-N
InChI=1S/C20H24O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h5-6,8-10,15,19,21-23H,3-4,7,11H2,1-2H3/t15-,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H24O6
Molecular Weight 360.401
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 10:00:43 UTC 2023
Edited
by admin
on Sat Dec 16 10:00:43 UTC 2023
Record UNII
2B91L473ZL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIHYDRODEHYDROCONIFERYL ALCOHOL, (7R,8S)-(-)-
Common Name English
(2R,3S)-DIHYDRODEHYDROCONIFERYL ALCOHOL
Common Name English
7R,8S-DIHYDRODEHYDRODICONIFERYL ALCOHOL
Common Name English
(-)-(7R,8S)-DIHYDRODEHYDROCONIFERYL ALCOHOL
Common Name English
5-BENZOFURANPROPANOL, 2,3-DIHYDRO-2-(4-HYDROXY-3-METHOXYPHENYL)-3-(HYDROXYMETHYL)-7-METHOXY-, (2R,3S)-
Systematic Name English
(-)-(2R,3S)-DIHYDRODEHYDROCONIFERYL ALCOHOL
Common Name English
Code System Code Type Description
PUBCHEM
5274623
Created by admin on Sat Dec 16 10:00:43 UTC 2023 , Edited by admin on Sat Dec 16 10:00:43 UTC 2023
PRIMARY
FDA UNII
2B91L473ZL
Created by admin on Sat Dec 16 10:00:43 UTC 2023 , Edited by admin on Sat Dec 16 10:00:43 UTC 2023
PRIMARY
CAS
126253-41-6
Created by admin on Sat Dec 16 10:00:43 UTC 2023 , Edited by admin on Sat Dec 16 10:00:43 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 = >40, In vitro hydroxyl radical scavenging assay(Hydroxy Radical) IC50 expressed as ug/mL = 3.3+-0.24.