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Cedrelone

CAT: 1459-CS-BT-00241Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-BT-00241Size:1 Each
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Description
Cedrelone 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-00241. 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
1254-85-9
Synonyms
Cedrelone
Additionnal Information
Cedrelone is supplied with detailed characterization data compliant with regulatory guideline. Cedrelone 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

Cedrelone

CEDRELONE is a limonoid.

CAS Number1254-85-9
PubChem CID21596358
IUPAC Name(1R,2R,4R,6S,7S,10R,11R)-6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-12,16-diene-14,18-dione
Molecular FormulaC26H30O5
Molecular Weight422.5
XLogP3.7
Topological Polar Surface Area80
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count31
Formal Charge0
Complexity976
SMILES
C[C@@]12CC[C@@H]3[C@]4(C=CC(=O)C(C4=C(C(=O)[C@]3([C@@]15[C@H](O5)C[C@H]2C6=COC=C6)C)O)(C)C)C
InChI
InChI=1S/C26H30O5/c1-22(2)17(27)7-9-23(3)16-6-10-24(4)15(14-8-11-30-13-14)12-18-26(24,31-18)25(16,5)21(29)19(28)20(22)23/h7-9,11,13,15-16,18,28H,6,10,12H2,1-5H3/t15-,16+,18+,23+,24-,25-,26+/m0/s1
InChIKey
OQMUOVSEPOBWMK-BWLMZZBKSA-N
Chemical Structure
2D Structure
2D structure of Cedrelone
CAS: 1254-85-9
CID: 21596358
Formula: C26H30O5
MW: 422.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.5
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass422.20932405
Monoisotopic Mass422.20932405
Topological Polar Surface Area80 Ų
Heavy Atom Count31
Formal Charge0
Complexity976
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BAA25485-01Cedrelone

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