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Details

Stereochemistry ACHIRAL
Molecular Formula C20H19NO7S
Molecular Weight 417.432
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of JATRORRHIZINE 3-O-SULFATE

SMILES

COC1=CC2=C(CC[N+]3=CC4=C(C=CC(OC)=C4OC)C=C23)C=C1OS([O-])(=O)=O

InChI

InChIKey=XRANVZBXCJWJNA-UHFFFAOYSA-N
InChI=1S/C20H19NO7S/c1-25-17-5-4-12-8-16-14-10-18(26-2)19(28-29(22,23)24)9-13(14)6-7-21(16)11-15(12)20(17)27-3/h4-5,8-11H,6-7H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C20H20NO7S
Molecular Weight 418.44
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
AB869JA7NV
Record Status Validated (UNII)
Record Version