Xanthomegnin

CAT: 0498-bs-75749C-02Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0498-bs-75749C-02Size:1 mg

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CAS Number

1685-91-2

Conjugation

Unconjugated

Purity

>97% (HPLC)

Buffer

Solid

Solubility

Soluble in chloroform or DMSO; poorly soluble in methanol or water.

Smiles

COC1=C(C(=O)C2=C(C=C3C[C@@H](C)OC(=O)C3=C2O)C1=O)C1=C(OC)C(=O)C2=C(C(O)=C3C(=O)O[C@H](C)CC3=C2)C1=O

Molecular Formula

C30H22O12

Molecular Weight

574.5

Storage Conditions

Stable for 1 year after receipt when stored at -20°C. After reconstitution protect from light at -20°C.

Appearance

Orange crystalline solid.

Chemical Information

Xanthomegnin

(8,8'-Bi-1H-naphtho(1,2-c)pyran)-1,1',7,7',10,10'-hexone, 3,3',4,4'-tetrahydro-6,6'-dihydroxy-9,9'-dimethoxy-3,3'-dimethyl-, (3R,3'R)- has been reported in Streptomyces, Penicillium viridicatum, and other organisms with data available.

CAS Number	1685-91-2
PubChem CID	3032411
IUPAC Name	(3R)-10-hydroxy-8-[(3R)-10-hydroxy-7-methoxy-3-methyl-1,6,9-trioxo-3,4-dihydrobenzo[g]isochromen-8-yl]-7-methoxy-3-methyl-3,4-dihydrobenzo[g]isochromene-1,6,9-trione
Molecular Formula	C30H22O12
Molecular Weight	574.5
XLogP	4
Topological Polar Surface Area	180
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	3
Heavy Atom Count	42
Formal Charge	0
Complexity	1260

SMILES

C[C@@H]1CC2=CC3=C(C(=C2C(=O)O1)O)C(=O)C(=C(C3=O)OC)C4=C(C(=O)C5=C(C4=O)C(=C6C(=C5)C[C@H](OC6=O)C)O)OC

InChI

InChI=1S/C30H22O12/c1-9-5-11-7-13-17(23(33)15(11)29(37)41-9)25(35)19(27(39-3)21(13)31)20-26(36)18-14(22(32)28(20)40-4)8-12-6-10(2)42-30(38)16(12)24(18)34/h7-10,33-34H,5-6H2,1-4H3/t9-,10-/m1/s1

InChIKey

WICHONPZVIYWIJ-NXEZZACHSA-N

Chemical Structure

2D Structure

CAS: 1685-91-2

CID: 3032411

Formula: C30H22O12

MW: 574.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	574.5
XLogP3	4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	3
Exact Mass	574.11112613
Monoisotopic Mass	574.11112613
Topological Polar Surface Area	180 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	1260
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
sc-364147	Xanthomegnin
207453-01	Xanthomegnin (NSC264720)

Xanthomegnin

Chemical Information

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