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Details

Stereochemistry RACEMIC
Molecular Formula C22H26O6
Molecular Weight 386.4382
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GOMISIN M1, (±)-

SMILES

COC1=C(OC)C(O)=C2C(C[C@@H](C)[C@@H](C)CC3=CC4=C(OCO4)C(OC)=C23)=C1

InChI

InChIKey=OGJPBGDUYKEQLA-NEPJUHHUSA-N
InChI=1S/C22H26O6/c1-11-6-13-8-15(24-3)20(25-4)19(23)17(13)18-14(7-12(11)2)9-16-21(22(18)26-5)28-10-27-16/h8-9,11-12,23H,6-7,10H2,1-5H3/t11-,12+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H26O6
Molecular Weight 386.4382
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 11:16:28 GMT 2023
Edited
by admin
on Sat Dec 16 11:16:28 GMT 2023
Record UNII
C0678JED3A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GOMISIN M1, (±)-
Common Name English
(±)-GOMISIN M1
Common Name English
BENZO(3,4)CYCLOOCTA(1,2-F)(1,3)BENZODIOXOL-1-OL, 5,6,7,8-TETRAHYDRO-2,3,13-TRIMETHOXY-6,7-DIMETHYL-, (6R,7S,13AR)-REL-
Systematic Name English
GOMISIN M
Common Name English
Code System Code Type Description
CAS
82467-50-3
Created by admin on Sat Dec 16 11:16:28 GMT 2023 , Edited by admin on Sat Dec 16 11:16:28 GMT 2023
PRIMARY
EPA CompTox
DTXSID601318545
Created by admin on Sat Dec 16 11:16:28 GMT 2023 , Edited by admin on Sat Dec 16 11:16:28 GMT 2023
PRIMARY
FDA UNII
C0678JED3A
Created by admin on Sat Dec 16 11:16:28 GMT 2023 , Edited by admin on Sat Dec 16 11:16:28 GMT 2023
PRIMARY
PUBCHEM
128150
Created by admin on Sat Dec 16 11:16:28 GMT 2023 , Edited by admin on Sat Dec 16 11:16:28 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT