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Β-Obscurin

CAT: 1410-M38609Size: 1 EachDry Ice: NoHazardous: No
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Description
Β-Obscurine is a lycopodine-type alkaloid, which can be isolated from the club moss Lycopodium casuarinoides.
CAS Number
467-79-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
272.39
Molecular Formula
C17H24N2O
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

beta-Obscurine

Beta-obscurine is a quinoline alkaloid and an organic heterotetracyclic compound.

CAS Number467-79-8
PubChem CID5460546
IUPAC Name(1R,9S,10R,16R)-14,16-dimethyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3-dien-5-one
Molecular FormulaC17H24N2O
Molecular Weight272.4
XLogP2
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count20
Formal Charge0
Complexity521
SMILES
C[C@@H]1C[C@H]2CC3=C(C=CC(=O)N3)[C@@]4(C1)[C@@H]2CCCN4C
InChI
InChI=1S/C17H24N2O/c1-11-8-12-9-15-14(5-6-16(20)18-15)17(10-11)13(12)4-3-7-19(17)2/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,18,20)/t11-,12+,13-,17-/m1/s1
InChIKey
SIQKNJDHWYZFFT-IPJQOSJUSA-N
Chemical Structure
2D Structure
2D structure of beta-Obscurine
CAS: 467-79-8
CID: 5460546
Formula: C17H24N2O
MW: 272.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.4
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass272.188863393
Monoisotopic Mass272.188863393
Topological Polar Surface Area32.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity521
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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