Epimedin C

CAT: 1410-M17144-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1410-M17144-02Size:10 mg

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Description

Epimedin C was metabolized via desugarization, dehydrogenation, hydrogenation, dehydroxylation, hydroxylation, demethylation and glucuronidation pathways in vivo.

CAS Number

110642-44-9

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

822.8

Molecular Formula

C39H50O19

Notes

Research use only, not for human use.

Receptor

Others

Chemical Information

Epimedin C

Epimedin C is a glycoside and a member of flavonoids.

CAS Number	110642-44-9
PubChem CID	5748394
IUPAC Name	3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-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 Formula	C39H50O19
Molecular Weight	822.8
XLogP	0.6
Topological Polar Surface Area	293
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	11
Heavy Atom Count	58
Formal Charge	0
Complexity	1450

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H](O[C@H]2OC3=C(OC4=C(C3=O)C(=CC(=C4CC=C(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C6=CC=C(C=C6)OC)C)O)O)O)O)O

InChI

InChI=1S/C39H50O19/c1-14(2)6-11-19-21(54-38-32(50)29(47)26(44)22(13-40)55-38)12-20(41)23-27(45)35(33(56-34(19)23)17-7-9-18(51-5)10-8-17)57-39-36(30(48)25(43)16(4)53-39)58-37-31(49)28(46)24(42)15(3)52-37/h6-10,12,15-16,22,24-26,28-32,36-44,46-50H,11,13H2,1-5H3/t15-,16-,22+,24-,25-,26+,28+,29-,30+,31+,32+,36+,37-,38+,39-/m0/s1

InChIKey

ULZLIYVOYYQJRO-JIYCBSMMSA-N

Chemical Structure

2D Structure

CAS: 110642-44-9

CID: 5748394

Formula: C39H50O19

MW: 822.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	822.8
XLogP3	0.6
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	11
Exact Mass	822.29462936
Monoisotopic Mass	822.29462936
Topological Polar Surface Area	293 Å²
Heavy Atom Count	58
Formal Charge	0
Complexity	1450
Isotope Atom Count	0
Defined Atom Stereocenter Count	15
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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M17817-01	Epimedin A
M31701-01	Epimedin K
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M31699-01	Epimedin B1
M17818-01	Epimedin B
M38944-01	Epimedin I
M12818-01	Ribocil-C
M12656-01	Lanatoside C
M10367-01	BIX02188 (c)
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Alternative Products

Catalog	Name
T3906-01	Epimedin A
N1635-100	Epimedin B
OE08122-01	Epimedin C
TBW01548	Epimedin I
380215	Epimedin K

Epimedin C

Chemical Information

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