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Cladospirone B

CAT: 0013-GTR19277996-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19277996-01Size:1 mg
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Description
Cladospirone B is a high-purity biochemical reagent suitable for biochemical experiments and drug synthesis research.
CAS Number
307503-97-5
Smiles
O[C@@H]1CC (=O) C2=C (O) C=CC (O) =C2C11OC2=CC=CC3=CC=CC (O1) =C23
Molecular Formula
C20H14O6
Molecular Weight
350.33
Notes
For research use only.

Chemical Information

Cladospirone B

Cladospirone B has been reported in Berkleasmium with data available.

CAS Number307503-97-5
PubChem CID10521808
IUPAC Name(3R)-3,5,8-trihydroxyspiro[2,3-dihydronaphthalene-4,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-1-one
Molecular FormulaC20H14O6
Molecular Weight350.3
XLogP3
Topological Polar Surface Area96.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count26
Formal Charge0
Complexity559
SMILES
C1[C@H](C2(C3=C(C=CC(=C3C1=O)O)O)OC4=CC=CC5=C4C(=CC=C5)O2)O
InChI
InChI=1S/C20H14O6/c21-11-7-8-12(22)19-18(11)13(23)9-16(24)20(19)25-14-5-1-3-10-4-2-6-15(26-20)17(10)14/h1-8,16,21-22,24H,9H2/t16-/m1/s1
InChIKey
IDLZGEAPEUPIGD-MRXNPFEDSA-N
Chemical Structure
2D Structure
2D structure of Cladospirone B
CAS: 307503-97-5
CID: 10521808
Formula: C20H14O6
MW: 350.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.3
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass350.07903816
Monoisotopic Mass350.07903816
Topological Polar Surface Area96.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity559
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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