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Details

Stereochemistry RACEMIC
Molecular Formula C16H14O5
Molecular Weight 286.2794
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OXYPEUCEDANIN, (±)-

SMILES

CC1(C)OC1COC2=C3C=CC(=O)OC3=CC4=C2C=CO4

InChI

InChIKey=QTAGQHZOLRFCBU-UHFFFAOYSA-N
InChI=1S/C16H14O5/c1-16(2)13(21-16)8-19-15-9-3-4-14(17)20-12(9)7-11-10(15)5-6-18-11/h3-7,13H,8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C16H14O5
Molecular Weight 286.2794
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 20:58:48 GMT 2025
Edited
by admin
on Mon Mar 31 20:58:48 GMT 2025
Record UNII
AL8MV76MSB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OXYPEUCEDANIN, (±)-
Common Name English
(RS)-OXYPEUCEDANIN
Preferred Name English
4-((3,3-DIMETHYL-2-OXIRANYL)METHOXY)-7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE
Systematic Name English
(±)-OXYPEUCEDANIN
Common Name English
5-EPOXYISOPENTENYLOXYPSORALENE
Common Name English
7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE, 4-((3,3-DIMETHYL-2-OXIRANYL)METHOXY)-
Systematic Name English
Code System Code Type Description
PUBCHEM
160544
Created by admin on Mon Mar 31 20:58:48 GMT 2025 , Edited by admin on Mon Mar 31 20:58:48 GMT 2025
PRIMARY
CAS
737-52-0
Created by admin on Mon Mar 31 20:58:48 GMT 2025 , Edited by admin on Mon Mar 31 20:58:48 GMT 2025
PRIMARY
EPA CompTox
DTXSID601350090
Created by admin on Mon Mar 31 20:58:48 GMT 2025 , Edited by admin on Mon Mar 31 20:58:48 GMT 2025
PRIMARY
FDA UNII
AL8MV76MSB
Created by admin on Mon Mar 31 20:58:48 GMT 2025 , Edited by admin on Mon Mar 31 20:58:48 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE