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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 ISOVESTITOL, (S)-

SMILES

COC1=C(C=CC(O)=C1)[C@H]2COC3=C(C2)C=CC(O)=C3

InChI

InChIKey=FFDNYMAHNWBKCH-LLVKDONJSA-N
InChI=1S/C16H16O4/c1-19-16-8-13(18)4-5-14(16)11-6-10-2-3-12(17)7-15(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 Mon Mar 31 23:17:28 GMT 2025
Edited
by admin
on Mon Mar 31 23:17:28 GMT 2025
Record UNII
84N1MUM69H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOVESTITOL, (S)-
Common Name English
ISOVESTITOL, (-)-
Preferred Name English
(3S)-7,4'-DIHYDROXY-2'-METHOXYISOFLAVAN
Systematic Name English
2H-1-BENZOPYRAN-7-OL, 3,4-DIHYDRO-3-(4-HYDROXY-2-METHOXYPHENYL)-, (3S)-
Systematic Name English
Code System Code Type Description
CAS
871333-52-7
Created by admin on Mon Mar 31 23:17:28 GMT 2025 , Edited by admin on Mon Mar 31 23:17:28 GMT 2025
PRIMARY
FDA UNII
84N1MUM69H
Created by admin on Mon Mar 31 23:17:28 GMT 2025 , Edited by admin on Mon Mar 31 23:17:28 GMT 2025
PRIMARY
PUBCHEM
44446907
Created by admin on Mon Mar 31 23:17:28 GMT 2025 , Edited by admin on Mon Mar 31 23:17:28 GMT 2025
PRIMARY