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Dihydroberberine

CAT: 0572-TRC-D446915-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D446915-250MGSize:250 mg
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CAS Number
483-15-8
Synonyms
Dihydroberberine; 6H-Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine, 5,8-dihydro-9,10-dimethoxy-; Berberine, dihydro- (6CI,7CI); Berbine, 13,13a-didehydro-9,10-dimethoxy-2,3-(methylenedioxy)- (8CI); 7,8-Dihydroberberine; Dihydroberberine; Dihydroumbellatine; NSC 331264
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
COc1ccc2C=C3N(CCc4cc5OCOc5cc34)Cc2c1OC
Molecular Formula
C20 H19 N O4
Molecular Weight
337.369
InChI
InChI=1S/C20H19NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-9H,5-6,10-11H2,1-2H3
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Dihydroberberine

Lambertine is an alkaloid.

CAS Number483-15-8
PubChem CID10217
IUPAC Name16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene
Molecular FormulaC20H19NO4
Molecular Weight337.4
XLogP3.5
Topological Polar Surface Area40.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity538
SMILES
COC1=C(C2=C(C=C1)C=C3C4=CC5=C(C=C4CCN3C2)OCO5)OC
InChI
InChI=1S/C20H19NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-9H,5-6,10-11H2,1-2H3
InChIKey
FZAGOOYMTPGPGF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dihydroberberine
CAS: 483-15-8
CID: 10217
Formula: C20H19NO4
MW: 337.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight337.4
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass337.13140809
Monoisotopic Mass337.13140809
Topological Polar Surface Area40.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity538
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes