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5-O-methylvisammioside

CAT: 1407-AB0168Size: 20 mgDry Ice: NoHazardous: No
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CAT#:1407-AB0168Size:20 mg
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CAS Number
84272-85-5
Purity
98% (HPLC)
Molecular Formula
C22H28O10
Molecular Weight
452.456

Chemical Information

5-O-Methylvisammioside

5-O-Methylvisammioside has been reported in Saposhnikovia divaricata with data available.

CAS Number84272-85-5
PubChem CID5317707
IUPAC Name4-methoxy-7-methyl-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-5-one
Molecular FormulaC22H28O10
Molecular Weight452.5
XLogP0.3
Topological Polar Surface Area144
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity738
SMILES
CC1=CC(=O)C2=C(C3=C(C=C2O1)OC(C3)C(C)(C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC
InChI
InChI=1S/C22H28O10/c1-9-5-11(24)16-13(29-9)7-12-10(20(16)28-4)6-15(30-12)22(2,3)32-21-19(27)18(26)17(25)14(8-23)31-21/h5,7,14-15,17-19,21,23,25-27H,6,8H2,1-4H3/t14-,15?,17-,18+,19-,21+/m1/s1
InChIKey
QVGFPTYGKPLXPK-NUTNSJPXSA-N
Chemical Structure
2D Structure
2D structure of 5-O-Methylvisammioside
CAS: 84272-85-5
CID: 5317707
Formula: C22H28O10
MW: 452.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight452.5
XLogP30.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass452.16824709
Monoisotopic Mass452.16824709
Topological Polar Surface Area144 Ų
Heavy Atom Count32
Formal Charge0
Complexity738
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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