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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H16O4
Molecular Weight 272.2958
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

COC1=CC(O)=C(C=C1)[C@H]2COC3=CC(O)=CC=C3C2

InChI

InChIKey=XRVFNNUXNVWYTI-LLVKDONJSA-N
InChI=1S/C16H16O4/c1-19-13-4-5-14(15(18)8-13)11-6-10-2-3-12(17)7-16(10)20-9-11/h2-5,7-8,11,17-18H,6,9H2,1H3/t11-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H16O4
Molecular Weight 272.2958
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:05:30 GMT 2023
Edited
by admin
on Sat Dec 16 12:05:30 GMT 2023
Record UNII
YRP165YV4N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VESTITOL, (+)-
Common Name English
(3S)-VESTITOL
Common Name English
2H-1-BENZOPYRAN-7-OL, 3,4-DIHYDRO-3-(2-HYDROXY-4-METHOXYPHENYL)-, (3S)-
Systematic Name English
(+)-VESTITOL
Common Name English
(3S)-3,4-DIHYDRO-3-(2-HYDROXY-4-METHOXYPHENYL)-2H-1-BENZOPYRAN-7-OL
Systematic Name English
2',7-ISOFLAVANDIOL, 4'-METHOXY-, (S)-(+)-
Systematic Name English
Code System Code Type Description
CHEBI
9971
Created by admin on Sat Dec 16 12:05:30 GMT 2023 , Edited by admin on Sat Dec 16 12:05:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID10943131
Created by admin on Sat Dec 16 12:05:30 GMT 2023 , Edited by admin on Sat Dec 16 12:05:30 GMT 2023
PRIMARY
FDA UNII
YRP165YV4N
Created by admin on Sat Dec 16 12:05:30 GMT 2023 , Edited by admin on Sat Dec 16 12:05:30 GMT 2023
PRIMARY
CAS
20879-05-4
Created by admin on Sat Dec 16 12:05:30 GMT 2023 , Edited by admin on Sat Dec 16 12:05:30 GMT 2023
PRIMARY
PUBCHEM
177149
Created by admin on Sat Dec 16 12:05:30 GMT 2023 , Edited by admin on Sat Dec 16 12:05:30 GMT 2023
PRIMARY