Isolindleyin

CAT: 0127-OR1067103-03Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1067103-03Size:10 mg

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CAS Number

87075-18-1

Purity

98%

Smiles

O=C(O[C@H]1[C@H](OC2=CC=C(CCC(C)=O)C=C2)O[C@H](CO)[C@@H](O)[C@@H]1O)C3=CC(O)=C(O)C(O)=C3

Chemical Information

Isolindleyin

Isolindleyin is a glycoside.

CAS Number	87075-18-1
PubChem CID	10390322
IUPAC Name	[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-(3-oxobutyl)phenoxy]oxan-3-yl] 3,4,5-trihydroxybenzoate
Molecular Formula	C23H26O11
Molecular Weight	478.4
XLogP	0.8
Topological Polar Surface Area	183
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	9
Heavy Atom Count	34
Formal Charge	0
Complexity	668

SMILES

CC(=O)CCC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O

InChI

InChI=1S/C23H26O11/c1-11(25)2-3-12-4-6-14(7-5-12)32-23-21(20(30)19(29)17(10-24)33-23)34-22(31)13-8-15(26)18(28)16(27)9-13/h4-9,17,19-21,23-24,26-30H,2-3,10H2,1H3/t17-,19-,20+,21-,23-/m1/s1

InChIKey

KHUVRRVIZOSFTI-OXUVVOBNSA-N

Chemical Structure

2D Structure

CAS: 87075-18-1

CID: 10390322

Formula: C23H26O11

MW: 478.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	478.4
XLogP3	0.8
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	9
Exact Mass	478.14751164
Monoisotopic Mass	478.14751164
Topological Polar Surface Area	183 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	668
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
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
AB2542	Isolindleyin

Isolindleyin

Chemical Information

Alternative Products

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