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Details

Stereochemistry
Molecular Formula C34H30O14
Molecular Weight 662.5936
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VIRIDITOXIN, (-)-

SMILES

COC(=O)C[C@@H]1CC2=CC3=C(C(OC)=CC(O)=C3C(O)=C2C(=O)O1)C4=C5C=C6C[C@@H](CC(=O)OC)OC(=O)C6=C(O)C5=C(O)C=C4OC

InChI

InChIKey=GMCZVCXZGZGZPX-HOTGVXAUSA-N
InChI=1S/C34H30O14/c1-43-21-11-19(35)27-17(7-13-5-15(9-23(37)45-3)47-33(41)25(13)31(27)39)29(21)30-18-8-14-6-16(10-24(38)46-4)48-34(42)26(14)32(40)28(18)20(36)12-22(30)44-2/h7-8,11-12,15-16,35-36,39-40H,5-6,9-10H2,1-4H3/t15-,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C34H30O14
Molecular Weight 662.5936
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 11:37:25 GMT 2023
Edited
by admin
on Sat Dec 16 11:37:25 GMT 2023
Record UNII
6TAK972FMC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VIRIDITOXIN, (-)-
Common Name English
VIRIDITOXIN
Common Name English
(8,8'-BI-1H-NAPHTHO(2,3-C)PYRAN)-3,3'-DIACETIC ACID, 3,3',4,4'-TETRAHYDRO-9,9',10,10'-TETRAHYDROXY-7,7'-DIMETHOXY-1,1'-DIOXO-, 3,3'-DIMETHYL ESTER, (S,S')-
Systematic Name English
Code System Code Type Description
FDA UNII
6TAK972FMC
Created by admin on Sat Dec 16 11:37:25 GMT 2023 , Edited by admin on Sat Dec 16 11:37:25 GMT 2023
PRIMARY
EPA CompTox
DTXSID70956888
Created by admin on Sat Dec 16 11:37:25 GMT 2023 , Edited by admin on Sat Dec 16 11:37:25 GMT 2023
PRIMARY
CAS
35483-50-2
Created by admin on Sat Dec 16 11:37:25 GMT 2023 , Edited by admin on Sat Dec 16 11:37:25 GMT 2023
PRIMARY
PUBCHEM
53343291
Created by admin on Sat Dec 16 11:37:25 GMT 2023 , Edited by admin on Sat Dec 16 11:37:25 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE