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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 Vaginidiol

SMILES

CC(C)(O)[C@H]1OC2=C([C@H]1O)C3=C(C=C2)C=CC(=O)O3

InChI

InChIKey=DQISGWRLCDLKJI-YPMHNXCESA-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+/m1/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 19:28:21 GMT 2023
Edited
by admin
on Sat Dec 16 19:28:21 GMT 2023
Record UNII
CF4M586F5K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Vaginidiol
Common Name English
2H-Furo[2,3-h]-1-benzopyran-2-one, 8,9-dihydro-9-hydroxy-8-(1-hydroxy-1-methylethyl)-, (8S,9R)-
Systematic Name English
2H-Furo[2,3-h]-1-benzopyran-2-one, 8,9-dihydro-9-hydroxy-8-(1-hydroxy-1-methylethyl)-, (8S-cis)-
Systematic Name English
(8S,9R)-8,9-Dihydro-9-hydroxy-8-(1-hydroxy-1-methylethyl)-2H-furo[2,3-h]-1-benzopyran-2-one
Common Name English
Code System Code Type Description
FDA UNII
CF4M586F5K
Created by admin on Sat Dec 16 19:28:21 GMT 2023 , Edited by admin on Sat Dec 16 19:28:21 GMT 2023
PRIMARY
EPA CompTox
DTXSID001336812
Created by admin on Sat Dec 16 19:28:21 GMT 2023 , Edited by admin on Sat Dec 16 19:28:21 GMT 2023
PRIMARY
CAS
62624-87-7
Created by admin on Sat Dec 16 19:28:21 GMT 2023 , Edited by admin on Sat Dec 16 19:28:21 GMT 2023
PRIMARY
PUBCHEM
11817856
Created by admin on Sat Dec 16 19:28:21 GMT 2023 , Edited by admin on Sat Dec 16 19:28:21 GMT 2023
PRIMARY