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Details

Stereochemistry RACEMIC
Molecular Formula C14H14O5
Molecular Weight 262.258
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

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

SMILES

CC(C)(O)[C@H]1OC2=CC=C3C=CC(=O)OC3=C2[C@@H]1O

InChI

InChIKey=DQISGWRLCDLKJI-AAEUAGOBSA-N
InChI=1S/C14H14O5/c1-14(2,17)13-11(16)10-8(18-13)5-3-7-4-6-9(15)19-12(7)10/h3-6,11,13,16-17H,1-2H3/t11-,13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H14O5
Molecular Weight 262.258
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 14:31:33 GMT 2025
Edited
by admin
on Wed Apr 02 14:31:33 GMT 2025
Record UNII
ZN6SR56RCP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(±)-Vaginol
Preferred Name English
Vaginol, (±)-
Common Name English
rel-(8R,9R)-8,9-Dihydro-9-hydroxy-8-(1-hydroxy-1-methylethyl)-2H-furo[2,3-h]-1-benzopyran-2-one
Systematic Name English
2H-Furo[2,3-h]-1-benzopyran-2-one, 8,9-dihydro-9-hydroxy-8-(1-hydroxy-1-methylethyl)-, (8R,9R)-rel-
Systematic Name English
Code System Code Type Description
CAS
934402-59-2
Created by admin on Wed Apr 02 14:31:33 GMT 2025 , Edited by admin on Wed Apr 02 14:31:33 GMT 2025
PRIMARY
FDA UNII
ZN6SR56RCP
Created by admin on Wed Apr 02 14:31:33 GMT 2025 , Edited by admin on Wed Apr 02 14:31:33 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE