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Coronarin B

CAT: 1459-CS-BT-00267Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-BT-00267Size:1 Each
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Description
Coronarin B is listed under Pesticide Standards and is intended for analytical research, quality control and pharmaceutical reference standard applications. The product is supplied by Clearsynth under CAT No. CS-BT-00267. 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
119188-38-4
Synonyms
Coronarin B
Molecular Formula
C 20 H 30 O 4
Molecular Weight
334.46
Additionnal Information
Coronarin B is supplied with detailed characterization data compliant with regulatory guideline. Coronarin B can be used for analytical method development, method validation (AMV), Quality Control (QC), ANDA-related analytical work, and commercial pharmaceutical research applications.
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

Coronarin B
CAS Number119188-38-4
PubChem CID72702906
IUPAC Name7-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-hydroxy-4,7-dihydro-3H-dioxepine-5-carbaldehyde
Molecular FormulaC20H30O4
Molecular Weight334.4
XLogP4.1
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity550
SMILES
CC1(CCCC2(C1CCC(=C)C2C3C=C(CC(OO3)O)C=O)C)C
InChI
InChI=1S/C20H30O4/c1-13-6-7-16-19(2,3)8-5-9-20(16,4)18(13)15-10-14(12-21)11-17(22)24-23-15/h10,12,15-18,22H,1,5-9,11H2,2-4H3
InChIKey
FTQNGEYQJGYGFY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Coronarin B
CAS: 119188-38-4
CID: 72702906
Formula: C20H30O4
MW: 334.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.4
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass334.21440943
Monoisotopic Mass334.21440943
Topological Polar Surface Area55.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity550
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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