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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-DGCLKSJQSA-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 19:21:37 UTC 2023
Edited
by admin
on Sat Dec 16 19:21:37 UTC 2023
Record UNII
DL47822EXW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Vaginol, (-)-
Common Name English
(8R,9R)-8,9-Dihydro-9-hydroxy-8-(1-hydroxy-1-methylethyl)-2H-furo[2,3-h]-1-benzopyran-2-on
Systematic Name English
2H-Furo[2,3-h]-1-benzopyran-2-one, 8,9-dihydro-9-hydroxy-8-(1-hydroxy-1-methylethyl)-, (8R,9R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
101820924
Created by admin on Sat Dec 16 19:21:37 UTC 2023 , Edited by admin on Sat Dec 16 19:21:37 UTC 2023
PRIMARY
FDA UNII
DL47822EXW
Created by admin on Sat Dec 16 19:21:37 UTC 2023 , Edited by admin on Sat Dec 16 19:21:37 UTC 2023
PRIMARY
CAS
849144-92-9
Created by admin on Sat Dec 16 19:21:37 UTC 2023 , Edited by admin on Sat Dec 16 19:21:37 UTC 2023
PRIMARY