Cratoxylone

CAT: 0607-BA2211-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA2211-1Size:1 mg

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CAS Number

149155-01-1

Molecular Formula

C24H28O7

Molecular Weight

428.47

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Cratoxylone

Cratoxylone is a member of xanthones.

CAS Number	149155-01-1
PubChem CID	102004659
IUPAC Name	1,3,6-trihydroxy-2-(3-hydroxy-3-methylbutyl)-7-methoxy-8-(3-methylbut-2-enyl)xanthen-9-one
Molecular Formula	C24H28O7
Molecular Weight	428.5
XLogP	4.9
Topological Polar Surface Area	116
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	31
Formal Charge	0
Complexity	671

SMILES

CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(O2)C=C(C(=C3O)CCC(C)(C)O)O)O)OC)C

InChI

InChI=1S/C24H28O7/c1-12(2)6-7-14-19-17(11-16(26)23(14)30-5)31-18-10-15(25)13(8-9-24(3,4)29)21(27)20(18)22(19)28/h6,10-11,25-27,29H,7-9H2,1-5H3

InChIKey

JSXIWUDODLMCGG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 149155-01-1

CID: 102004659

Formula: C24H28O7

MW: 428.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	428.5
XLogP3	4.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	428.18350323
Monoisotopic Mass	428.18350323
Topological Polar Surface Area	116 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	671
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
M31441-01	Cratoxylone