8-Oxoepiberberine

CAT: 0607-BA7341-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA7341-5Size:5 mg

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CAS Number

19716-60-0

Form

A solid

Molecular Formula

C20H17NO5

Molecular Weight

351.35

Shipping Conditions

Blue ice

Storage Conditions

4°C, protect from light.

Chemical Information

Oxyepiberberine

an alkaloid isolated from Coptis chinensis Franch.

CAS Number	19716-60-0
PubChem CID	12799036
IUPAC Name	16,17-dimethoxy-5,7-dioxa-1-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,12,14,16,18-heptaen-2-one
Molecular Formula	C20H17NO5
Molecular Weight	351.4
XLogP	2.9
Topological Polar Surface Area	57.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	26
Formal Charge	0
Complexity	607

SMILES

COC1=C(C=C2C(=C1)CCN3C2=CC4=C(C3=O)C5=C(C=C4)OCO5)OC

InChI

InChI=1S/C20H17NO5/c1-23-16-8-11-5-6-21-14(13(11)9-17(16)24-2)7-12-3-4-15-19(26-10-25-15)18(12)20(21)22/h3-4,7-9H,5-6,10H2,1-2H3

InChIKey

PJTYPIGQKDTERS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19716-60-0

CID: 12799036

Formula: C20H17NO5

MW: 351.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	351.4
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	351.11067264
Monoisotopic Mass	351.11067264
Topological Polar Surface Area	57.2 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	607
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes