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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H24O6
Molecular Weight 360.401
Optical Activity ( + )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

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

SMILES

COC1=CC(=CC=C1O)[C@@H]2[C@@H](CO)[C@H](CO)CC3=CC(OC)=C(O)C=C23

InChI

InChIKey=OGFXBIXJCWAUCH-KPHUOKFYSA-N
InChI=1S/C20H24O6/c1-25-18-6-11(3-4-16(18)23)20-14-8-17(24)19(26-2)7-12(14)5-13(9-21)15(20)10-22/h3-4,6-8,13,15,20-24H,5,9-10H2,1-2H3/t13-,15-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H24O6
Molecular Weight 360.401
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:14:00 UTC 2023
Edited
by admin
on Sat Dec 16 10:14:00 UTC 2023
Record UNII
FRJ46XRJ28
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOLARICIRESINOL, (+)-
Common Name English
CYCLOLARICIRESINOL
Common Name English
ISOLARICIRESINOL
Common Name English
2,3-NAPHTHALENEDIMETHANOL, 1,2,3,4-TETRAHYDRO-7-HYDROXY-1-(4-HYDROXY-3-METHOXYPHENYL)-6-METHOXY-, (1S,2R,3R)-
Systematic Name English
(6R,7R,8S)-8-(4-HYDROXY-3-METHOXYPHENYL)-6,7-BIS(HYDROXYMETHYL)-3-METHOXY-5,6,7,8-TETRAHYDRO-2-NAPHTHALENOL
Systematic Name English
(+)-CYCLOLARICIRESINOL
Common Name English
(+)-ISOLARICIRESINOL
Common Name English
.ALPHA.-CONIDENDRYL ALCOHOL
Common Name English
(+)-(6R,7S,8S)-ISOLARICIRESINOL
Common Name English
Code System Code Type Description
FDA UNII
FRJ46XRJ28
Created by admin on Sat Dec 16 10:14:00 UTC 2023 , Edited by admin on Sat Dec 16 10:14:00 UTC 2023
PRIMARY
PUBCHEM
160521
Created by admin on Sat Dec 16 10:14:00 UTC 2023 , Edited by admin on Sat Dec 16 10:14:00 UTC 2023
PRIMARY
CAS
548-29-8
Created by admin on Sat Dec 16 10:14:00 UTC 2023 , Edited by admin on Sat Dec 16 10:14:00 UTC 2023
PRIMARY
EPA CompTox
DTXSID20203273
Created by admin on Sat Dec 16 10:14:00 UTC 2023 , Edited by admin on Sat Dec 16 10:14:00 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 = 37.4+/-0.9 , In vitro hydroxyl radical scavenging assay(Hydroxy Radical) IC50 expressed as ug/mL = 0.68+/-0.02.