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Details

Stereochemistry ABSOLUTE
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=C([C@@H]1O)C3=C(C=C2)C=CC(=O)O3

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 Sat Dec 16 17:11:29 GMT 2023
Edited
by admin
on Sat Dec 16 17:11:29 GMT 2023
Record UNII
DB6SNE9JN2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Vaginol, (+)-
Common Name English
2H-FURO(2,3-H)-1-BENZOPYRAN-2-ONE, 8,9-DIHYDRO-9-HYDROXY-8-(1-HYDROXY-1-METHYLETHYL)-, (+)-
Systematic Name English
VAGINOL
Common Name English
(8S,9S)-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)-, (8S,9S)-
Systematic Name English
2H-FURO(2,3-H)-1-BENZOPYRAN-2-ONE, 8,9-DIHYDRO-9-HYDROXY-8-(1-HYDROXY-1-METHYLETHYL)-, TRANS-(+)-
Systematic Name English
(+)-Vaginol
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID301336811
Created by admin on Sat Dec 16 17:11:29 GMT 2023 , Edited by admin on Sat Dec 16 17:11:29 GMT 2023
PRIMARY
CAS
26992-52-9
Created by admin on Sat Dec 16 17:11:29 GMT 2023 , Edited by admin on Sat Dec 16 17:11:29 GMT 2023
PRIMARY
FDA UNII
DB6SNE9JN2
Created by admin on Sat Dec 16 17:11:29 GMT 2023 , Edited by admin on Sat Dec 16 17:11:29 GMT 2023
PRIMARY
WIKIPEDIA
Vaginol
Created by admin on Sat Dec 16 17:11:29 GMT 2023 , Edited by admin on Sat Dec 16 17:11:29 GMT 2023
PRIMARY
PUBCHEM
16062330
Created by admin on Sat Dec 16 17:11:29 GMT 2023 , Edited by admin on Sat Dec 16 17:11:29 GMT 2023
PRIMARY