Dehydroglaucine

CAT: 0926-XAA21226-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-XAA21226-01Size:25 mg

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CAS Number

22212-26-6

Smiles

CN1CCC2=CC (=C (C3=C4C=C (C (=CC4=CC1=C23) OC) OC) OC) OC

Molecular Formula

C21H23NO4

Molecular Weight

353.4 g/mol

Controlled

Chemical Information

Dehydroglaucine

Didehydroglaucine has been reported in Corydalis yanhusuo, Corydalis turtschaninovii, and other organisms with data available.

CAS Number	22212-26-6
PubChem CID	398788
IUPAC Name	4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene
Molecular Formula	C21H23NO4
Molecular Weight	353.4
XLogP	4.5
Topological Polar Surface Area	40.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	26
Formal Charge	0
Complexity	489

SMILES

CN1CCC2=CC(=C(C3=C4C=C(C(=CC4=CC1=C23)OC)OC)OC)OC

InChI

InChI=1S/C21H23NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h8-11H,6-7H2,1-5H3

InChIKey

RZUHGAKUNBFQJS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22212-26-6

CID: 398788

Formula: C21H23NO4

MW: 353.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	353.4
XLogP3	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	353.16270821
Monoisotopic Mass	353.16270821
Topological Polar Surface Area	40.2 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	489
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

Catalog	Name
TN1561	Dehydroglaucine