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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H16O8
Molecular Weight 384.3362
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5,6-DIMETHOXYSTERIGMATOCYSTIN

SMILES

COC1=CC2=C([C@@H]3C=CO[C@@H]3O2)C4=C1C(=O)C5=C(O4)C(OC)=C(OC)C=C5O

InChI

InChIKey=RSPJLZQIZABVSE-FFVOIRBGSA-N
InChI=1S/C20H16O8/c1-23-10-7-11-13(8-4-5-26-20(8)27-11)18-15(10)16(22)14-9(21)6-12(24-2)17(25-3)19(14)28-18/h4-8,20-21H,1-3H3/t8-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H16O8
Molecular Weight 384.3362
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 23:34:54 GMT 2025
Edited
by admin
on Mon Mar 31 23:34:54 GMT 2025
Record UNII
J0FSI1YC2L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5,6-DIMETHOXYSTERIGMATOCYSTIN, 3A,12C-DIHYDRO-8-HYDROXY-6,10,11-TRIMETHOXY-, (3AR,12CS)-
Preferred Name English
5,6-DIMETHOXYSTERIGMATOCYSTIN
Common Name English
7H-FURO(3',2':4,5)FURO(2,3-C)XANTHEN-7-ONE, 3A,12C-DIHYDRO-8-HYDROXY-6,10,11-TRIMETHOXY-, (3AR,12CS)-
Systematic Name English
7H-FURO(3',2':4,5)FURO(2,3-C)XANTHEN-7-ONE, 3A,12C-DIHYDRO-8-HYDROXY-6,10,11-TRIMETHOXY-, (3AR-CIS)-
Systematic Name English
Code System Code Type Description
CAS
65176-75-2
Created by admin on Mon Mar 31 23:34:54 GMT 2025 , Edited by admin on Mon Mar 31 23:34:54 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
J0FSI1YC2L
Created by admin on Mon Mar 31 23:34:54 GMT 2025 , Edited by admin on Mon Mar 31 23:34:54 GMT 2025
PRIMARY
PUBCHEM
101683037
Created by admin on Mon Mar 31 23:34:54 GMT 2025 , Edited by admin on Mon Mar 31 23:34:54 GMT 2025
PRIMARY
EPA CompTox
DTXSID1020489
Created by admin on Mon Mar 31 23:34:54 GMT 2025 , Edited by admin on Mon Mar 31 23:34:54 GMT 2025
PRIMARY