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Beta-Thevinone

CAT: 1459-CS-O-54975Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-54975Size:1 Each
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Description
Beta-Thevinone is listed under Impurity and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Thevinone. The product is supplied by Clearsynth under CAT No. CS-O-54975. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
15358-23-3
Synonyms
Beta-Thevinone
Molecular Formula
C 23 H 27 NO 4
Molecular Weight
381.46
Additionnal Information
Beta-Thevinone is supplied with detailed characterization data compliant with regulatory guideline. Beta-Thevinone can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Thevinone.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

b-Thevinone
CAS Number15358-23-3
PubChem CID11014417
IUPAC Name1-[(1R,2S,6R,14R,15R,16R)-11,15-dimethoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]ethanone
Molecular FormulaC23H27NO4
Molecular Weight381.5
XLogP2.1
Topological Polar Surface Area48
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity753
SMILES
CC(=O)[C@@H]1C[C@@]23C=C[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)OC)O4)C)OC
InChI
InChI=1S/C23H27NO4/c1-13(25)15-12-21-7-8-23(15,27-4)20-22(21)9-10-24(2)17(21)11-14-5-6-16(26-3)19(28-20)18(14)22/h5-8,15,17,20H,9-12H2,1-4H3/t15-,17+,20+,21+,22-,23+/m0/s1
InChIKey
DGSADVAMZWFCMP-WKUBJUINSA-N
Chemical Structure
2D Structure
2D structure of b-Thevinone
CAS: 15358-23-3
CID: 11014417
Formula: C23H27NO4
MW: 381.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.5
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass381.19400834
Monoisotopic Mass381.19400834
Topological Polar Surface Area48 Ų
Heavy Atom Count28
Formal Charge0
Complexity753
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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