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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H20O9
Molecular Weight 416.3781
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FRANGULIN A

SMILES

C[C@@H]1O[C@@H](OC2=CC3=C(C(O)=C2)C(=O)C4=C(C=C(C)C=C4O)C3=O)[C@H](O)[C@H](O)[C@H]1O

InChI

InChIKey=DTTVUKLWJFJOHO-FUCRAMRQSA-N
InChI=1S/C21H20O9/c1-7-3-10-14(12(22)4-7)18(26)15-11(17(10)25)5-9(6-13(15)23)30-21-20(28)19(27)16(24)8(2)29-21/h3-6,8,16,19-24,27-28H,1-2H3/t8-,16-,19+,20+,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H20O9
Molecular Weight 416.3781
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:44:36 GMT 2023
Edited
by admin
on Fri Dec 15 15:44:36 GMT 2023
Record UNII
HXU301W02A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FRANGULIN A
MI  
Common Name English
FRANGULIN A [MI]
Common Name English
Code System Code Type Description
FDA UNII
HXU301W02A
Created by admin on Fri Dec 15 15:44:36 GMT 2023 , Edited by admin on Fri Dec 15 15:44:36 GMT 2023
PRIMARY
CAS
521-62-0
Created by admin on Fri Dec 15 15:44:36 GMT 2023 , Edited by admin on Fri Dec 15 15:44:36 GMT 2023
PRIMARY
PUBCHEM
196979
Created by admin on Fri Dec 15 15:44:36 GMT 2023 , Edited by admin on Fri Dec 15 15:44:36 GMT 2023
PRIMARY
EPA CompTox
DTXSID40966459
Created by admin on Fri Dec 15 15:44:36 GMT 2023 , Edited by admin on Fri Dec 15 15:44:36 GMT 2023
PRIMARY
MERCK INDEX
m5562
Created by admin on Fri Dec 15 15:44:36 GMT 2023 , Edited by admin on Fri Dec 15 15:44:36 GMT 2023
PRIMARY Merck Index
ECHA (EC/EINECS)
208-316-2
Created by admin on Fri Dec 15 15:44:36 GMT 2023 , Edited by admin on Fri Dec 15 15:44:36 GMT 2023
PRIMARY