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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H14O7
Molecular Weight 354.3103
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-METHOXYSTERIGMATOCYSTIN

SMILES

COC1=CC=C(O)C2=C1OC3=C4[C@@H]5C=CO[C@@H]5OC4=CC(OC)=C3C2=O

InChI

InChIKey=VVRUNWFPOWIBDY-WPCRTTGESA-N
InChI=1S/C19H14O7/c1-22-10-4-3-9(20)14-16(21)15-11(23-2)7-12-13(18(15)26-17(10)14)8-5-6-24-19(8)25-12/h3-8,19-20H,1-2H3/t8-,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H14O7
Molecular Weight 354.3103
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 Mon Mar 31 19:05:06 GMT 2025
Edited
by admin
on Mon Mar 31 19:05:06 GMT 2025
Record UNII
QW57FXA2G2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-METHOXYSTERIGMATOCYSTIN
Common Name English
NSC-178249
Preferred Name English
7H-FURO(3',2':4,5)FURO(2,3-C)XANTHEN-7-ONE, 3A,12C-DIHYDRO-8-HYDROXY-6,11-DIMETHOXY-, (3AR,12CS)-
Systematic Name English
(3AR,12CS)-3A,12C-DIHYDRO-8-HYDROXY-6,11-DIMETHOXY-7H-FURO(3',2':4,5)FURO(2,3-C)XANTHEN-7-ONE
Systematic Name English
Code System Code Type Description
FDA UNII
QW57FXA2G2
Created by admin on Mon Mar 31 19:05:06 GMT 2025 , Edited by admin on Mon Mar 31 19:05:06 GMT 2025
PRIMARY
CAS
22897-08-1
Created by admin on Mon Mar 31 19:05:06 GMT 2025 , Edited by admin on Mon Mar 31 19:05:06 GMT 2025
PRIMARY
EPA CompTox
DTXSID101018081
Created by admin on Mon Mar 31 19:05:06 GMT 2025 , Edited by admin on Mon Mar 31 19:05:06 GMT 2025
PRIMARY
PUBCHEM
5464421
Created by admin on Mon Mar 31 19:05:06 GMT 2025 , Edited by admin on Mon Mar 31 19:05:06 GMT 2025
PRIMARY
NSC
178249
Created by admin on Mon Mar 31 19:05:06 GMT 2025 , Edited by admin on Mon Mar 31 19:05:06 GMT 2025
PRIMARY