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Details

Stereochemistry RACEMIC
Molecular Formula C19H13NO9
Molecular Weight 399.3078
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3A,12C-DIHYDRO-9-NITRO-8-HYDROXY-6,11-DIMETHOXY-7H-FURO(3',2':4,5)FURO(2,3-C)XANTHEN-7-ONE

SMILES

COC1=CC(=C(O)C2=C1OC3=C(C2=O)C(OC)=CC4=C3[C@H]5C=CO[C@H]5O4)[N+]([O-])=O

InChI

InChIKey=AHRKQDRVVQFYFN-XJZHNMMOSA-N
InChI=1S/C19H13NO9/c1-25-9-6-10-12(7-3-4-27-19(7)28-10)18-13(9)16(22)14-15(21)8(20(23)24)5-11(26-2)17(14)29-18/h3-7,19,21H,1-2H3/t7-,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H13NO9
Molecular Weight 399.3078
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 12:01:11 GMT 2023
Edited
by admin
on Sat Dec 16 12:01:11 GMT 2023
Record UNII
L04LK8O651
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3A,12C-DIHYDRO-9-NITRO-8-HYDROXY-6,11-DIMETHOXY-7H-FURO(3',2':4,5)FURO(2,3-C)XANTHEN-7-ONE
Common Name English
7H-FURO(3',2':4,5)FURO(2,3-C)XANTHEN-7-ONE, 3A,12C-DIHYDRO-8-HYDROXY-6,11-DIMETHOXY-9-NITRO-, (3AR-CIS)-
Systematic Name English
Code System Code Type Description
FDA UNII
L04LK8O651
Created by admin on Sat Dec 16 12:01:11 GMT 2023 , Edited by admin on Sat Dec 16 12:01:11 GMT 2023
PRIMARY
CAS
59921-56-1
Created by admin on Sat Dec 16 12:01:11 GMT 2023 , Edited by admin on Sat Dec 16 12:01:11 GMT 2023
PRIMARY
PUBCHEM
126961350
Created by admin on Sat Dec 16 12:01:11 GMT 2023 , Edited by admin on Sat Dec 16 12:01:11 GMT 2023
PRIMARY