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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=C(OS([O-])(=O)=O)C=C2CC[N+]3=C(C=C4C=CC(OC)=C(OC)C4=C3)C2=C1

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

Approval Year

Unknown
139594
Name Type Language
JATRORRHIZINE 3-O-SULFATE
Common Name English
DIBENZO(A,G)QUINOLIZINIUM, 5,6-DIHYDRO-2,9,10-TRIMETHOXY-3-(SULFOOXY)-
Systematic Name English
BERBERINE METABOLITE HM5
Common Name English
5,6-DIHYDRO-2,9,10-TRIMETHOXY-3-(SULFOOXY)DIBENZO(A,G)QUINOLIZINIUM
Systematic Name English
Code System Code Type Description
PUBCHEM
154572878
Created by admin on Sat Dec 16 16:52:24 GMT 2023 , Edited by admin on Sat Dec 16 16:52:24 GMT 2023
PRIMARY
CAS
1334431-48-9
Created by admin on Sat Dec 16 16:52:24 GMT 2023 , Edited by admin on Sat Dec 16 16:52:24 GMT 2023
PRIMARY
FDA UNII
AB869JA7NV
Created by admin on Sat Dec 16 16:52:24 GMT 2023 , Edited by admin on Sat Dec 16 16:52:24 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of BERBERINE
NIH
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