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Eucalyptone

CAT: 1459-CS-BT-00331Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-BT-00331Size:1 Each
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Description
Eucalyptone 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-00331. 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
172617-99-1
Synonyms
Eucalyptone
Molecular Formula
C 28 H 38 O 7
Molecular Weight
486.61
Additionnal Information
Eucalyptone is supplied with detailed characterization data compliant with regulatory guideline. Eucalyptone 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

CID 91885002

Eucalyptone has been reported in Eucalyptus amplifolia with data available.

CAS Number172617-99-1
PubChem CID91885002
IUPAC Name5-[(1S)-1-[(1R)-2-[(1R,3R)-2,2-dimethyl-3-(3-oxobutyl)cyclopropyl]-1-methyl-3-oxocyclopentyl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
Molecular FormulaC28H38O7
Molecular Weight486.6
XLogP4.8
Topological Polar Surface Area129
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count35
Formal Charge0
Complexity813
SMILES
CC(C)C[C@H](C1=C(C(=C(C(=C1O)C=O)O)C=O)O)[C@]2(CCC(=O)C2[C@H]3[C@H](C3(C)C)CCC(=O)C)C
InChI
InChI=1S/C28H38O7/c1-14(2)11-19(21-25(34)16(12-29)24(33)17(13-30)26(21)35)28(6)10-9-20(32)23(28)22-18(27(22,4)5)8-7-15(3)31/h12-14,18-19,22-23,33-35H,7-11H2,1-6H3/t18-,19-,22-,23?,28-/m1/s1
InChIKey
KGPNGYABEKLGJP-VOUKFXJASA-N
Chemical Structure
2D Structure
2D structure of CID 91885002
CAS: 172617-99-1
CID: 91885002
Formula: C28H38O7
MW: 486.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight486.6
XLogP34.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass486.26175355
Monoisotopic Mass486.26175355
Topological Polar Surface Area129 Ų
Heavy Atom Count35
Formal Charge0
Complexity813
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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