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Heraclenin

CAT: 1459-CS-BT-00365Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-BT-00365Size:1 Each
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Description
Heraclenin 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-00365. 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
2880-49-1
Synonyms
Heraclenin
Molecular Formula
C 16 H 14 O 5
Molecular Weight
286.28
Additionnal Information
Heraclenin is supplied with detailed characterization data compliant with regulatory guideline. Heraclenin 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

(+)-Heraclenin

heraclenin has been reported in Halocnemum strobilaceum, Heracleum rapula, and other organisms with data available.

CAS Number2880-49-1
PubChem CID458010
IUPAC Name9-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one
Molecular FormulaC16H14O5
Molecular Weight286.28
XLogP2.2
Topological Polar Surface Area61.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity471
SMILES
CC1([C@H](O1)COC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)C
InChI
InChI=1S/C16H14O5/c1-16(2)11(21-16)8-19-15-13-10(5-6-18-13)7-9-3-4-12(17)20-14(9)15/h3-7,11H,8H2,1-2H3/t11-/m1/s1
InChIKey
CTJZWFCPUDPLME-LLVKDONJSA-N
Chemical Structure
2D Structure
2D structure of (+)-Heraclenin
CAS: 2880-49-1
CID: 458010
Formula: C16H14O5
MW: 286.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.28
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass286.08412354
Monoisotopic Mass286.08412354
Topological Polar Surface Area61.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity471
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
CS-BT-00366Heraclenol

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CatalogName
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