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Boeravinone O

CAT: 0931-TN3526-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN3526-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1449384-21-7
Target
Others
Related Pathways
Others
Bioactivity
Boeravinone O is a natural product for research related to life sciences. The catalog number is TN3526 and the CAS number is 1449384-21-7.
Smiles
O=C1C2=C(O)C=C(OC)C=C2OC3=C1C=4C=CC=C(O)C4OC3O
Molecular Formula
C17H12O7
Molecular Weight
328.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Boeravinone O
CAS Number1449384-21-7
PubChem CID71662493
IUPAC Name4,6,11-trihydroxy-9-methoxy-6H-chromeno[3,4-b]chromen-12-one
Molecular FormulaC17H12O7
Molecular Weight328.27
XLogP2
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity559
SMILES
COC1=CC(=C2C(=C1)OC3=C(C2=O)C4=C(C(=CC=C4)O)OC3O)O
InChI
InChI=1S/C17H12O7/c1-22-7-5-10(19)13-11(6-7)23-16-12(14(13)20)8-3-2-4-9(18)15(8)24-17(16)21/h2-6,17-19,21H,1H3
InChIKey
HIHQFLYPSJTPSM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Boeravinone O
CAS: 1449384-21-7
CID: 71662493
Formula: C17H12O7
MW: 328.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.27
XLogP32
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass328.05830272
Monoisotopic Mass328.05830272
Topological Polar Surface Area105 Ų
Heavy Atom Count24
Formal Charge0
Complexity559
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TBW01744Boeravinone A
HY-N2947Boeravinone B
379705Boeravinone E
HY-N8629Boeravinone O
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HY-N2947RBoeravinone B (Standard)

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