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Epimedin A1 (Standard)

CAT: 0804-HY-N0258RSize: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N0258RSize:1 Each
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Description
Epimedin A1 (Standard) is the analytical standard of Epimedin A1. This product is intended for research and analytical applications. Epimedin A1 is a flavonoid extracted from Herba Epimedii which is one of commonly used Chinese medicines.
CAS Number
140147-77-9
Product Name Alternative
Hexandraside F (Standard)
UNSPSC
12352005
Target
Others; Reference Standards
Type
Reference Standards
Related Pathways
Others
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/epimedin-a1-standard.html
Smiles
O[C@H]1[C@H](O)[C@@H](O)[C@H](OC2=CC(O)=C(C(C(O[C@H]3[C@H](O)[C@H](O[C@@]4([H])[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](O)[C@H](C)O3)=C(C5=CC=C(OC)C=C5)O6)=O)C6=C2C/C=C(C)/C)O[C@@H]1CO
Molecular Formula
C39H50O20
Molecular Weight
838.80
References & Citations
[1]Chen XJ, et al. A rapid method for simultaneous determination of 15 flavonoids in Epimedium using pressurized liquid extraction and ultra-performance liquid chromatography. J Pharm Biomed Anal. 2008 Jan 22;46 (2) :226-35.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Hexandraside F

epimedin A1 has been reported in Epimedium sagittatum and Vancouveria hexandra with data available.

CAS Number140147-77-9
PubChem CID92043273
IUPAC Name3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular FormulaC39H50O20
Molecular Weight838.8
XLogP0.1
Topological Polar Surface Area313
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count20
Rotatable Bond Count12
Heavy Atom Count59
Formal Charge0
Complexity1470
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O
InChI
InChI=1S/C39H50O20/c1-14(2)5-10-18-20(54-37-30(49)28(47)25(44)21(12-40)55-37)11-19(42)23-27(46)36(33(57-34(18)23)16-6-8-17(52-4)9-7-16)59-39-32(51)35(24(43)15(3)53-39)58-38-31(50)29(48)26(45)22(13-41)56-38/h5-9,11,15,21-22,24-26,28-32,35,37-45,47-51H,10,12-13H2,1-4H3/t15-,21+,22+,24-,25+,26+,28-,29-,30+,31+,32+,35+,37+,38-,39-/m0/s1
InChIKey
NLVBYGTTYRFJKH-YFNAFYFCSA-N
Chemical Structure
2D Structure
2D structure of Hexandraside F
CAS: 140147-77-9
CID: 92043273
Formula: C39H50O20
MW: 838.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight838.8
XLogP30.1
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count20
Rotatable Bond Count12
Exact Mass838.28954398
Monoisotopic Mass838.28954398
Topological Polar Surface Area313 Ų
Heavy Atom Count59
Formal Charge0
Complexity1470
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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