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Limonol

CAT: 1459-CS-BT-00411Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-BT-00411Size:1 Each
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Description
Limonol 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-00411. 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
989-61-7
Synonyms
Limonol
Molecular Formula
C 26 H 32 O 8
Molecular Weight
472.53
Additionnal Information
Limonol is supplied with detailed characterization data compliant with regulatory guideline. Limonol 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

rel-(2aR,4R,4aS,4bR,5aS,8S,8aS,10aR,10bR,14aS)-8-(3-Furanyl)dodecahydro-4-hydroxy-2,2,4a,8a-tetramethyl-11H,13H-oxireno(c)pyrano(4'',3'':2',3')furo(3',4':5,6)naphtho(1,2-d)pyran-6,13(5aH)-dione
CAS Number989-61-7
PubChem CID91809625
IUPAC Name(1R,2R,7S,10R,12R,13S,14R,16S,19S,20S)-19-(furan-3-yl)-12-hydroxy-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,17-dione
Molecular FormulaC26H32O8
Molecular Weight472.5
XLogP2.1
Topological Polar Surface Area108
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Heavy Atom Count34
Formal Charge0
Complexity964
SMILES
C[C@@]12CC[C@H]3[C@]([C@@]14[C@H](O4)C(=O)O[C@H]2C5=COC=C5)([C@@H](C[C@@H]6[C@@]37COC(=O)C[C@@H]7OC6(C)C)O)C
InChI
InChI=1S/C26H32O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-17,19-20,27H,5,7,9-10,12H2,1-4H3/t14-,15-,16+,17-,19-,20+,23-,24-,25+,26+/m0/s1
InChIKey
ZFIURKZEANVFML-FNTQHQORSA-N
Chemical Structure
2D Structure
2D structure of rel-(2aR,4R,4aS,4bR,5aS,8S,8aS,10aR,10bR,14aS)-8-(3-Furanyl)dodecahydro-4-hydroxy-2,2,4a,8a-tetramethyl-11H,13H-oxireno(c)pyrano(4'',3'':2',3')furo(3',4':5,6)naphtho(1,2-d)pyran-6,13(5aH)-dione
CAS: 989-61-7
CID: 91809625
Formula: C26H32O8
MW: 472.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.5
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Exact Mass472.20971797
Monoisotopic Mass472.20971797
Topological Polar Surface Area108 Ų
Heavy Atom Count34
Formal Charge0
Complexity964
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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