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Epigriseofulvin

CAT: 0572-TRC-E588300-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E588300-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
469-49-8
Synonyms
(+)-Epigriseofulvin; 7-Chloro-2',4,6-trimethoxy-6'alpha-methyl-spiro[benzofuran-2(3H)-1'-[2]cyclohexene]-3,4'-dione; (1'R,6'R)-7-Chloro-2',4,6-trimethoxy-6'-methyl-3H-spiro[benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione
Hazard Statement
May cause an allergic skin reaction.
Purity
>95% (HPLC)
Smiles
COC1=CC(=O)C[C@@H](C)[C@]12Oc3c(Cl)c(OC)cc(OC)c3C2=O
Molecular Formula
C17H17ClO6
Molecular Weight
352.77
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Epigriseofulvin
CAS Number469-49-8
PubChem CID978395
IUPAC Name(2R,5'R)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione
Molecular FormulaC17H17ClO6
Molecular Weight352.8
XLogP2.2
Topological Polar Surface Area71.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity575
SMILES
C[C@@H]1CC(=O)C=C([C@@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC
InChI
InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17-/m1/s1
InChIKey
DDUHZTYCFQRHIY-CQLKUDPESA-N
Chemical Structure
2D Structure
2D structure of Epigriseofulvin
CAS: 469-49-8
CID: 978395
Formula: C17H17ClO6
MW: 352.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.8
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass352.0713660
Monoisotopic Mass352.0713660
Topological Polar Surface Area71.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity575
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
164029Epigriseofulvin

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