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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H22O7
Molecular Weight 386.3952
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of OSTRUTHOL

SMILES

C\C=C(\C)C(=O)O[C@H](COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C(C)(C)O

InChI

InChIKey=WXULKGXQMWVWMP-OMLDUKLJSA-N
InChI=1S/C21H22O7/c1-5-12(2)20(23)28-17(21(3,4)24)11-26-19-13-6-7-18(22)27-16(13)10-15-14(19)8-9-25-15/h5-10,17,24H,11H2,1-4H3/b12-5-/t17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H22O7
Molecular Weight 386.3952
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 Fri Dec 15 20:13:29 GMT 2023
Edited
by admin
on Fri Dec 15 20:13:29 GMT 2023
Record UNII
DRR3UAR32Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OSTRUTHOL
MI  
Common Name English
OSTRUTOL
Common Name English
(R-(Z))-(2-HYDROXY-2-METHYL-1-(((7-OXO-7H-FURO(3,2-G)(1)BENZOPYRAN-4-YL)OXY)METHYL)PROPYL) 2-METHYL-2-BUTENOATE
Common Name English
OSTHRUTOL
Common Name English
CROTONIC ACID, 2-METHYL-, 2-ESTER WITH 4-(2,3-DIHYDROXY-3-METHYLBUTOXY)-7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE, (Z)-(-)-
Common Name English
OSTRUTHOL [MI]
Common Name English
2-BUTENOIC ACID, 2-METHYL-, (2-HYDROXY-2-METHYL-1-(((7-OXO-7H-FURO(3,2-G)(1)BENZOPYRAN-4-YL)OXY)METHYL)PROPYL) ESTER, (R-(Z))-
Common Name English
2-BUTENOIC ACID, 2-METHYL-, (1R)-2-HYDROXY-2-METHYL-1-(((7-OXO-7H-FURO(3,2-G)(1)BENZOPYRAN-4-YL)OXY)METHYL)PROPYL ESTER, (2Z)-
Common Name English
5-BENZOFURANACRYLIC ACID, 4-(2,3-DIHYDROXY-3-METHYLBUTOXY)-6-HYDROXY-, .DELTA.-LACTONE, 2-ANGELATE
Common Name English
Code System Code Type Description
PUBCHEM
6441273
Created by admin on Fri Dec 15 20:13:29 GMT 2023 , Edited by admin on Fri Dec 15 20:13:29 GMT 2023
PRIMARY
FDA UNII
DRR3UAR32Y
Created by admin on Fri Dec 15 20:13:29 GMT 2023 , Edited by admin on Fri Dec 15 20:13:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID801318703
Created by admin on Fri Dec 15 20:13:29 GMT 2023 , Edited by admin on Fri Dec 15 20:13:29 GMT 2023
PRIMARY
MERCK INDEX
m8265
Created by admin on Fri Dec 15 20:13:29 GMT 2023 , Edited by admin on Fri Dec 15 20:13:29 GMT 2023
PRIMARY Merck Index
CAS
642-08-0
Created by admin on Fri Dec 15 20:13:29 GMT 2023 , Edited by admin on Fri Dec 15 20:13:29 GMT 2023
PRIMARY