Diosmin Impurity 7

CAT: 1596-AR-D07177-05Size: 150Dry Ice: NoHazardous: No

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CAT#:1596-AR-D07177-05Size:150

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CAS Number

89294-54-2

Molecular Formula

C17H16O6

Molecular Weight

316.31

API Name

Diosmin

Chemical Information

Hesperetin 3'-methyl ether

hesperetin 3'-methyl ether has been reported in Vernonanthura divaricata, Cyanthillium cinereum, and Erythrina velutina with data available.

CAS Number	89294-54-2
PubChem CID	14466294
IUPAC Name	(2S)-2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
Molecular Formula	C17H16O6
Molecular Weight	316.30
XLogP	2.7
Topological Polar Surface Area	85.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	23
Formal Charge	0
Complexity	427

SMILES

COC1=C(C=C(C=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)OC

InChI

InChI=1S/C17H16O6/c1-21-13-4-3-9(5-15(13)22-2)14-8-12(20)17-11(19)6-10(18)7-16(17)23-14/h3-7,14,18-19H,8H2,1-2H3/t14-/m0/s1

InChIKey

HRFSSDXPHTZMLA-AWEZNQCLSA-N

Chemical Structure

2D Structure

CAS: 89294-54-2

CID: 14466294

Formula: C17H16O6

MW: 316.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	316.30
XLogP3	2.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	316.09468823
Monoisotopic Mass	316.09468823
Topological Polar Surface Area	85.2 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	427
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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
AR-D01908-01	Diosmetin (Diosmin EP Impurity F)
AR-D01923-01	Diosmin Impurity 2
AR-D07176-01	Diosmin Impurity 6
AR-D08064-01	Diosmin Impurity 15
AR-D07174-01	Diosmin Impurity 4
AR-D07178-01	Diosmin Impurity 8
AR-Z00961-01	Diosmin EP Impurity A
AR-D08065-01	Diosmin Impurity 12
AR-D08062-01	Diosmin Impurity 13
AR-D08063-01	Diosmin Impurity 14