Desmethyl Icaritin

CAT: 0024-sc-207541ASize: 2 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-207541ASize:2 mg

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CAS Number

28610-31-3

Chemical Information

8-Prenylkaempferol

desmethyl icaritin has been reported in Sophora flavescens and Sophora tomentosa with data available.

CAS Number	28610-31-3
PubChem CID	5318624
IUPAC Name	3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
Molecular Formula	C20H18O6
Molecular Weight	354.4
XLogP	4.4
Topological Polar Surface Area	107
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	26
Formal Charge	0
Complexity	597

SMILES

CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)O)C

InChI

InChI=1S/C20H18O6/c1-10(2)3-8-13-14(22)9-15(23)16-17(24)18(25)19(26-20(13)16)11-4-6-12(21)7-5-11/h3-7,9,21-23,25H,8H2,1-2H3

InChIKey

NADCVNHITZNGJU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 28610-31-3

CID: 5318624

Formula: C20H18O6

MW: 354.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	354.4
XLogP3	4.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	354.11033829
Monoisotopic Mass	354.11033829
Topological Polar Surface Area	107 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	597
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

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Catalog	Name
TRC-D291760-10MG	Desmethyl Icaritin
AR-I03171-01	Icariin Impurity 5 (Desmethyl Icaritin)
271664-01	Desmethyl icaritin tri-O-methoxymethyl ether
MBS3607854-01	Icaritin
HY-N0678R-01	Icaritin (Standard)
300453	Icaritin (Anhydroicaritin)
371565	Icaritin discontinued
GTR19237393-01	Icaritin-3-O-rhamnoside