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Stellarine C

CAT: 0013-GTR19219348-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219348-01Size:5 mg
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Description
Stellarine C is a β-carboline alkaloid obtained from Stellaria dichotoma var. lanceolata. Research indicates β-carboline alkaloids exhibit biological activities, making this compound of interest for pharmacological and biochemical studies in vitro.
CAS Number
66154-37-8
Smiles
O=C (OC) C=1N=C (C (=O) C) C=2NC=3C=CC=CC3C2C1
Molecular Formula
C15H12N2O3
Molecular Weight
268.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-Acetyl-3-Methoxycarbonyl-Beta-Carboline

1-acetyl-3-methoxycarbonyl-beta-carboline is a harmala alkaloid. It has a role as a metabolite.

CAS Number66154-37-8
PubChem CID21763833
IUPAC Namemethyl 1-acetyl-9H-pyrido[3,4-b]indole-3-carboxylate
Molecular FormulaC15H12N2O3
Molecular Weight268.27
XLogP2.5
Topological Polar Surface Area72.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity412
SMILES
CC(=O)C1=C2C(=CC(=N1)C(=O)OC)C3=CC=CC=C3N2
InChI
InChI=1S/C15H12N2O3/c1-8(18)13-14-10(7-12(17-13)15(19)20-2)9-5-3-4-6-11(9)16-14/h3-7,16H,1-2H3
InChIKey
SBZMZGWZRHSWRX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Acetyl-3-Methoxycarbonyl-Beta-Carboline
CAS: 66154-37-8
CID: 21763833
Formula: C15H12N2O3
MW: 268.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight268.27
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass268.08479225
Monoisotopic Mass268.08479225
Topological Polar Surface Area72.1 Ų
Heavy Atom Count20
Formal Charge0
Complexity412
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

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