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(+) -Calycanthidine

CAT: 0931-TN8715-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN8715-02Size:50 mg
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CAS Number
5516-85-8
Bioactivity
(+) -Calycanthidine is a natural product that can be used in related research in the field of life sciences. Its product number is TN8715.
Smiles
CN1[C@]2([C@@](C=3C1=CC=CC3)(CCN2C)[C@@]45C=6C(N[C@@]4(N(C)CC5)[H])=CC=CC6)[H]
Molecular Formula
C23H28N4
Molecular Weight
360.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Calycanthidine

Calycanthidine is an aminal, an organonitrogen heterocyclic compound and a calycanthaceous alkaloid. It is functionally related to a chimonanthine.

CAS Number5516-85-8
PubChem CID599113
IUPAC Name3,4-dimethyl-8b-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
Molecular FormulaC23H28N4
Molecular Weight360.5
XLogP4.1
Topological Polar Surface Area21.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count27
Formal Charge0
Complexity609
SMILES
CN1CCC2(C1NC3=CC=CC=C32)C45CCN(C4N(C6=CC=CC=C56)C)C
InChI
InChI=1S/C23H28N4/c1-25-14-12-22(16-8-4-6-10-18(16)24-20(22)25)23-13-15-26(2)21(23)27(3)19-11-7-5-9-17(19)23/h4-11,20-21,24H,12-15H2,1-3H3
InChIKey
GSQUXSFTXJRLQJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Calycanthidine
CAS: 5516-85-8
CID: 599113
Formula: C23H28N4
MW: 360.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.5
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass360.23139691
Monoisotopic Mass360.23139691
Topological Polar Surface Area21.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity609
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TN1063-01Calycanthine

Alternative Products

CatalogName
GTR19242866(+) -Calycanthidine
GTR19178248Calycanthidine

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