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Br-Xanthone A

CAT: 0926-MEA64948-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-MEA64948-02Size:25 mg
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CAS Number
112649-48-6
MDL Number
MFCD20274906
Smiles
CC1 (CCC2=C (O1) C=C3C (=C2O) C (=O) C4=C (O3) C=C (C5=C4CCC (O5) (C) C) O) C
Molecular Formula
C23H24O6
Molecular Weight
396.4 g/mol
Controlled
No

Chemical Information

Br-Xanthone A
CAS Number112649-48-6
PubChem CID13964005
IUPAC Name10,22-dihydroxy-7,7,18,18-tetramethyl-8,13,17-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4(9),10,14,16(21)-hexaen-2-one
Molecular FormulaC23H24O6
Molecular Weight396.4
XLogP4.8
Topological Polar Surface Area85.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count29
Formal Charge0
Complexity674
SMILES
CC1(CCC2=C(O1)C=C3C(=C2O)C(=O)C4=C(O3)C=C(C5=C4CCC(O5)(C)C)O)C
InChI
InChI=1S/C23H24O6/c1-22(2)7-5-11-14(28-22)10-16-18(19(11)25)20(26)17-12-6-8-23(3,4)29-21(12)13(24)9-15(17)27-16/h9-10,24-25H,5-8H2,1-4H3
InChIKey
QFURCBFEIGTKCW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Br-Xanthone A
CAS: 112649-48-6
CID: 13964005
Formula: C23H24O6
MW: 396.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data

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