U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H16O6
Molecular Weight 328.316
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of VERMISTATIN

SMILES

COC1=CC(OC)=C2[C@@H](OC(=O)C2=C1)C3=COC(\C=C\C)=CC3=O

InChI

InChIKey=YORFGPDHNOBVBM-BDUNBXCCSA-N
InChI=1S/C18H16O6/c1-4-5-10-7-14(19)13(9-23-10)17-16-12(18(20)24-17)6-11(21-2)8-15(16)22-3/h4-9,17H,1-3H3/b5-4+/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H16O6
Molecular Weight 328.316
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:55:28 GMT 2023
Edited
by admin
on Sat Dec 16 18:55:28 GMT 2023
Record UNII
GX8U4VXD8W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VERMISTATIN
Common Name English
(3R)-4,6-DIMETHOXY-3-(4-OXO-6-(1E)-1-PROPEN-1-YL-4H-PYRAN-3-YL)-1(3H)-ISOBENZOFURANONE
Systematic Name English
1(3H)-ISOBENZOFURANONE, 4,6-DIMETHOXY-3-(4-OXO-6-(1E)-1-PROPENYL-4H-PYRAN-3-YL)-, (3R)-
Systematic Name English
1(3H)-ISOBENZOFURANONE, 4,6-DIMETHOXY-3-(4-OXO-6-(1-PROPENYL)-4H-PYRAN-3-YL)-, (R-(E))-
Systematic Name English
1(3H)-ISOBENZOFURANONE, 4,6-DIMETHOXY-3-(4-OXO-6-(1E)-1-PROPEN-1-YL-4H-PYRAN-3-YL)-, (3R)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID001045463
Created by admin on Sat Dec 16 18:55:28 GMT 2023 , Edited by admin on Sat Dec 16 18:55:28 GMT 2023
PRIMARY
CAS
72669-21-7
Created by admin on Sat Dec 16 18:55:28 GMT 2023 , Edited by admin on Sat Dec 16 18:55:28 GMT 2023
PRIMARY
WIKIPEDIA
Vermistatin
Created by admin on Sat Dec 16 18:55:28 GMT 2023 , Edited by admin on Sat Dec 16 18:55:28 GMT 2023
PRIMARY
PUBCHEM
5467588
Created by admin on Sat Dec 16 18:55:28 GMT 2023 , Edited by admin on Sat Dec 16 18:55:28 GMT 2023
PRIMARY
FDA UNII
GX8U4VXD8W
Created by admin on Sat Dec 16 18:55:28 GMT 2023 , Edited by admin on Sat Dec 16 18:55:28 GMT 2023
PRIMARY