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Sotetsuflavone

CAT: 0926-FS176755-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-FS176755-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2608-21-1
Smiles
COC1=C (C2=C (C (=C1) O) C (=O) C=C (O2) C3=CC=C (C=C3) O) C4=C (C=CC (=C4) C5=CC (=O) C6=C (C=C (C=C6O5) O) O) O
Molecular Formula
C31H20O10
Molecular Weight
552.48 g/mol
Controlled
No

Chemical Information

8-(5-(5,7-Dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one

Sotetsuflavone has been reported in Taxus cuspidata, Selaginella denticulata, and other organisms with data available.

CAS Number2608-21-1
PubChem CID5494868
IUPAC Name8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
Molecular FormulaC31H20O10
Molecular Weight552.5
XLogP5.4
Topological Polar Surface Area163
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count41
Formal Charge0
Complexity1060
SMILES
COC1=C(C2=C(C(=C1)O)C(=O)C=C(O2)C3=CC=C(C=C3)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O
InChI
InChI=1S/C31H20O10/c1-39-26-13-23(38)30-22(37)12-24(14-2-5-16(32)6-3-14)41-31(30)28(26)18-8-15(4-7-19(18)34)25-11-21(36)29-20(35)9-17(33)10-27(29)40-25/h2-13,32-35,38H,1H3
InChIKey
OIFVLHZEBAXHPM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-(5-(5,7-Dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
CAS: 2608-21-1
CID: 5494868
Formula: C31H20O10
MW: 552.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight552.5
XLogP35.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass552.10564683
Monoisotopic Mass552.10564683
Topological Polar Surface Area163 Ų
Heavy Atom Count41
Formal Charge0
Complexity1060
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

Alternative Products

CatalogName
TN2222Sotetsuflavone

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