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Epimedin C

CAT: 0013-GTR19160552-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160552-02Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Epimedin C was metabolized via desugarization, dehydrogenation, hydrogenation, dehydroxylation, hydroxylation, demethylation and glucuronidation pathways in vivo. It has potential activity against osteoporosis by stimulating osteoblasts.
CAS Number
110642-44-9
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 250 mg/mL (303.84 mM)
Smiles
C[C@H]1[C@@H] ([C@H] ([C@H] ([C@@H] (O1) O[C@@H]1[C@@H] ([C@@H] (O) [C@@H] (O[C@H]1Oc1c (oc2c (c1=O) c (cc (c2CC=C (C) C) O[C@H]1[C@@H] ([C@H] ([C@@H] ([C@H] (O1) CO) O) O) O) O) c1ccc (cc1) OC) C) O) O) O) O
Molecular Formula
C39H50O19
Molecular Weight
822.8
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Epimedin C

Epimedin C is a glycoside and a member of flavonoids.

CAS Number110642-44-9
PubChem CID5748394
IUPAC Name3-[(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 FormulaC39H50O19
Molecular Weight822.8
XLogP0.6
Topological Polar Surface Area293
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count19
Rotatable Bond Count11
Heavy Atom Count58
Formal Charge0
Complexity1450
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
2D structure of Epimedin C
CAS: 110642-44-9
CID: 5748394
Formula: C39H50O19
MW: 822.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight822.8
XLogP30.6
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count19
Rotatable Bond Count11
Exact Mass822.29462936
Monoisotopic Mass822.29462936
Topological Polar Surface Area293 Ų
Heavy Atom Count58
Formal Charge0
Complexity1450
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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