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(-)-Dehydro Griseofulvin

CAT: 0572-TRC-D229940-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D229940-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3573-90-8
Synonyms
(1'S)-7-Chloro-2',4,6-trimethoxy-6'-methyl-spiro[benzofuran-2(3H),1'-[2,5]cyclohexadiene]-3,4'-dione; Spiro[benzofuran-2(3H),1'-[2,5]cyclohexadiene]-3,4'-dione, 7-chloro-2',4,6-trimethoxy-6'-methyl- (6CI,7CI,8CI); Spiro[benzofuran-2(3H),1'-[2,5]cyclohexadiene]-3,4'-dione, 7-chloro-2',4,6-trimethoxy-6'-methyl-, (S)-; (-)-Dehydrogriseofulvin; Amudene; Dehydrogriseofulvin; Griseofulvin, dehydro-
Hazard Statement
May cause an allergic skin reaction.
Purity
>95% (HPLC)
Smiles
COC1=CC(=O)C=C(C)[C@]12Oc3c(Cl)c(OC)cc(OC)c3C2=O
Molecular Formula
C17 H15 Cl O6
Molecular Weight
350.75
InChI
InChI=1S/C17H15ClO6/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/h5-7H,1-4H3/t17-/m0/s1
Additionnal Information
IUPAC name: (2S)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohexa-2,5-diene]-1',3-dione
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(-)-Dehydrogriseofulvin

Dehydrogriseofulvin is a member of benzofurans.

CAS Number3573-90-8
PubChem CID3082005
IUPAC Name(2S)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohexa-2,5-diene]-1',3-dione
Molecular FormulaC17H15ClO6
Molecular Weight350.7
XLogP1.9
Topological Polar Surface Area71.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity627
SMILES
CC1=CC(=O)C=C([C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC
InChI
InChI=1S/C17H15ClO6/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/h5-7H,1-4H3/t17-/m0/s1
InChIKey
ISLYVROQSJYFAZ-KRWDZBQOSA-N
Chemical Structure
2D Structure
2D structure of (-)-Dehydrogriseofulvin
CAS: 3573-90-8
CID: 3082005
Formula: C17H15ClO6
MW: 350.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.7
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass350.0557159
Monoisotopic Mass350.0557159
Topological Polar Surface Area71.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity627
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

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