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Dichotomitin

CAT: 0013-GTR19154832-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19154832-02Size:200 mg
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Description
Dichotomitin is an isoflavonoid isolated from the rhizomes of Belamcanda chinensis (L.) DC.
CAS Number
88509-91-5
Purity
>98% (HPLC)
Solubility
DMSO:5 mM
Smiles
O=C1C (C2=CC (OC) =C (OC) C (O) =C2) =COC3=CC (OCO4) =C4C (O) =C13
Molecular Formula
C18H14O8
Molecular Weight
358.3
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Dichotomitin

5,3'-Dihydroxy-4',5'-dimethoxy-6,7-methylenedioxyisoflavone is an isoflavonoid.

CAS Number88509-91-5
PubChem CID5316653
IUPAC Name9-hydroxy-7-(3-hydroxy-4,5-dimethoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one
Molecular FormulaC18H14O8
Molecular Weight358.3
XLogP2.8
Topological Polar Surface Area104
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity578
SMILES
COC1=CC(=CC(=C1OC)O)C2=COC3=CC4=C(C(=C3C2=O)O)OCO4
InChI
InChI=1S/C18H14O8/c1-22-12-4-8(3-10(19)17(12)23-2)9-6-24-11-5-13-18(26-7-25-13)16(21)14(11)15(9)20/h3-6,19,21H,7H2,1-2H3
InChIKey
PFFOGGCBLWTCPM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dichotomitin
CAS: 88509-91-5
CID: 5316653
Formula: C18H14O8
MW: 358.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.3
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass358.06886740
Monoisotopic Mass358.06886740
Topological Polar Surface Area104 Ų
Heavy Atom Count26
Formal Charge0
Complexity578
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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