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Details

Stereochemistry ACHIRAL
Molecular Formula C25H28O4
Molecular Weight 392.4874
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of XANTHOANGELOL

SMILES

CC(C)=CCC\C(C)=C\CC1=C(O)C(=CC=C1O)C(=O)\C=C\C2=CC=C(O)C=C2

InChI

InChIKey=LRSMBOSQWGHYCW-MDGZPELGSA-N
InChI=1S/C25H28O4/c1-17(2)5-4-6-18(3)7-13-21-24(28)16-14-22(25(21)29)23(27)15-10-19-8-11-20(26)12-9-19/h5,7-12,14-16,26,28-29H,4,6,13H2,1-3H3/b15-10+,18-7+

HIDE SMILES / InChI

Molecular Formula C25H28O4
Molecular Weight 392.4874
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:01:32 UTC 2023
Edited
by admin
on Fri Dec 15 18:01:32 UTC 2023
Record UNII
91D4GN26Z1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
XANTHOANGELOL
Common Name English
2-PROPEN-1-ONE, 1-(3-((2E)-3,7-DIMETHYL-2,6-OCTADIEN-1-YL)-2,4-DIHYDROXYPHENYL)-3-(4-HYDROXYPHENYL)-, (2E)-
Systematic Name English
(2E)-1-(3-((2E)-3,7-DIMETHYL-2,6-OCTADIEN-1-YL)-2,4-DIHYDROXYPHENYL)-3-(4-HYDROXYPHENYL)-2-PROPEN-1-ONE
Systematic Name English
Code System Code Type Description
PUBCHEM
643007
Created by admin on Fri Dec 15 18:01:32 UTC 2023 , Edited by admin on Fri Dec 15 18:01:32 UTC 2023
PRIMARY
FDA UNII
91D4GN26Z1
Created by admin on Fri Dec 15 18:01:32 UTC 2023 , Edited by admin on Fri Dec 15 18:01:32 UTC 2023
PRIMARY
CAS
62949-76-2
Created by admin on Fri Dec 15 18:01:32 UTC 2023 , Edited by admin on Fri Dec 15 18:01:32 UTC 2023
PRIMARY
EPA CompTox
DTXSID301317693
Created by admin on Fri Dec 15 18:01:32 UTC 2023 , Edited by admin on Fri Dec 15 18:01:32 UTC 2023
PRIMARY
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