Glabrone

CAT: 0127-BUP02309-03Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP02309-03Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

60008-02-8

Purity

=98%

Smiles

CC1(C)Oc2ccc(c(O)c2C=C1)-c1coc2cc(O)ccc2c1=O

Chemical Information

Glabrone

Glabrone is an isoflavonoid.

CAS Number	60008-02-8
PubChem CID	5317652
IUPAC Name	7-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one
Molecular Formula	C20H16O5
Molecular Weight	336.3
XLogP	3.4
Topological Polar Surface Area	76
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	25
Formal Charge	0
Complexity	607

SMILES

CC1(C=CC2=C(O1)C=CC(=C2O)C3=COC4=C(C3=O)C=CC(=C4)O)C

InChI

InChI=1S/C20H16O5/c1-20(2)8-7-14-16(25-20)6-5-12(18(14)22)15-10-24-17-9-11(21)3-4-13(17)19(15)23/h3-10,21-22H,1-2H3

InChIKey

COLMVFWKLOZOOP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 60008-02-8

CID: 5317652

Formula: C20H16O5

MW: 336.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	336.3
XLogP3	3.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	336.09977361
Monoisotopic Mass	336.09977361
Topological Polar Surface Area	76 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	607
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
BUP00303-01	Glabrol

Catalog	Name
BA4447-10	Glabrone