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Cudraxanthone D

CAT: 0931-TN3727Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN3727Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
96552-41-9
Target
Others
Related Pathways
Others
Bioactivity
Cudraxanthone D is a natural product of Cudrania, Moraceae. The catalog number is TN3727 and the CAS number is 96552-41-9. Cudraxanthone D can be used as a reference standard.
Smiles
COc1cc(O)c2c(oc3cc(O)c(O)c(C\C=C(\C)C)c3c2=O)c1C(C)(C)C=C
Molecular Formula
C24H26O6
Molecular Weight
410.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cudraxanthone D

cudraxanthone D has been reported in Sophora alopecuroides and Maclura tricuspidata with data available.

CAS Number96552-41-9
PubChem CID11611248
IUPAC Name2,3,8-trihydroxy-6-methoxy-5-(2-methylbut-3-en-2-yl)-1-(3-methylbut-2-enyl)xanthen-9-one
Molecular FormulaC24H26O6
Molecular Weight410.5
XLogP6.3
Topological Polar Surface Area96.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity681
SMILES
CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(O2)C(=C(C=C3O)OC)C(C)(C)C=C)O)O)C
InChI
InChI=1S/C24H26O6/c1-7-24(4,5)20-17(29-6)10-14(25)19-22(28)18-13(9-8-12(2)3)21(27)15(26)11-16(18)30-23(19)20/h7-8,10-11,25-27H,1,9H2,2-6H3
InChIKey
UIIGEZZURHDEDK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cudraxanthone D
CAS: 96552-41-9
CID: 11611248
Formula: C24H26O6
MW: 410.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight410.5
XLogP36.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass410.17293854
Monoisotopic Mass410.17293854
Topological Polar Surface Area96.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity681
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