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Diphyllin O-glucoside

CAT: 1407-AB2817Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1407-AB2817Size:5 mg
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CAS Number
30021-77-3
Purity
98% (HPLC)
Molecular Formula
C27H26O12
Molecular Weight
542.488

Chemical Information

Cleistanthin B

Cleistanthin B is a member of the class of cleistanthins that is cleistanthin A in which the 3,4-di-O-methyl-D-xylopyranosyl group is replaced by a beta-D-glucopyranosyl group. It has a role as a diuretic, an antihypertensive agent and an alpha-adrenergic antagonist. It is a beta-D-glucoside, a monosaccharide derivative and a member of cleistanthins.

CAS Number30021-77-3
PubChem CID119458
IUPAC Name9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3H-benzo[f][2]benzofuran-1-one
Molecular FormulaC27H26O12
Molecular Weight542.5
XLogP1.8
Topological Polar Surface Area163
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Heavy Atom Count39
Formal Charge0
Complexity874
SMILES
COC1=C(C=C2C(=C1)C(=C3C(=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)COC3=O)C5=CC6=C(C=C5)OCO6)OC
InChI
InChI=1S/C27H26O12/c1-33-16-6-12-13(7-17(16)34-2)25(39-27-24(31)23(30)22(29)19(8-28)38-27)14-9-35-26(32)21(14)20(12)11-3-4-15-18(5-11)37-10-36-15/h3-7,19,22-24,27-31H,8-10H2,1-2H3/t19-,22-,23+,24-,27+/m1/s1
InChIKey
BJGIWVGXMRUMNA-WBYCZGBQSA-N
Chemical Structure
2D Structure
2D structure of Cleistanthin B
CAS: 30021-77-3
CID: 119458
Formula: C27H26O12
MW: 542.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight542.5
XLogP31.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Exact Mass542.14242626
Monoisotopic Mass542.14242626
Topological Polar Surface Area163 Ų
Heavy Atom Count39
Formal Charge0
Complexity874
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
FBA02177-01Diphyllin o-glucoside
HY-N2532-01Diphyllin
300802Podophyllotoxin-7-O-glucoside (Podophyllotoxin-4-O-glucoside)
TTE1263Lyoniresinol9'-O-glucoside
TRC-D454855-50MGDihydrozeatin O-Glucoside
M39774Malvidin-3-O- (6-O-coumaroyl) glucoside-5-O-glucoside
OZ30320-01Trans-Zeatin-9-glucoside-o-glucoside
HY-N13038-01Isovitexin-7-O-[6-feruloyl]-glucoside-4'-O-glucoside
M39766Peonidin-3-O- (6-coumaroyl) glucoside-5-O-glucoside

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