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Campneoside II 1mg

CAT: 0628-A24468-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0628-A24468-1Size:1 mg
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CAS Number
95587-86-3

Chemical Information

2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-4-O-((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl)-beta-D-glucopyranoside

Beta-Hydroxyacteoside is a hydroxycinnamic acid.

CAS Number95587-86-3
PubChem CID10009317
IUPAC Name[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)-2-hydroxyethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular FormulaC29H36O16
Molecular Weight640.6
XLogP-1.6
Topological Polar Surface Area266
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count16
Rotatable Bond Count11
Heavy Atom Count45
Formal Charge0
Complexity969
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO)OCC(C4=CC(=C(C=C4)O)O)O)O)O)O)O
InChI
InChI=1S/C29H36O16/c1-12-22(37)23(38)24(39)29(42-12)45-27-25(40)28(41-11-19(35)14-4-6-16(32)18(34)9-14)43-20(10-30)26(27)44-21(36)7-3-13-2-5-15(31)17(33)8-13/h2-9,12,19-20,22-35,37-40H,10-11H2,1H3/b7-3+/t12-,19?,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1
InChIKey
XDAXWJHQKZRSEY-XHJPSFMXSA-N
Chemical Structure
2D Structure
2D structure of 2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-4-O-((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl)-beta-D-glucopyranoside
CAS: 95587-86-3
CID: 10009317
Formula: C29H36O16
MW: 640.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight640.6
XLogP3-1.6
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count16
Rotatable Bond Count11
Exact Mass640.20033506
Monoisotopic Mass640.20033506
Topological Polar Surface Area266 Ų
Heavy Atom Count45
Formal Charge0
Complexity969
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
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T82786-01Campneoside II

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