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Praerosides IV

CAT: 1410-M38164Size: 1 EachDry Ice: NoHazardous: No
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Description
Praeroside IV can be isolated from the roots of Angelica furcijuga. Praeroside IV can be used for research of D-GalN/LPS-induced liver injury.
CAS Number
117233-34-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
408.4
Molecular Formula
C20H24O9
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

praeroside IV

praeroside IV has been reported in Kitagawia praeruptora with data available.

CAS Number117233-34-8
PubChem CID44144278
IUPAC Name(9R)-8,8-dimethyl-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dihydropyrano[2,3-h]chromen-2-one
Molecular FormulaC20H24O9
Molecular Weight408.4
XLogP0.3
Topological Polar Surface Area135
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity650
SMILES
CC1([C@@H](CC2=C(O1)C=CC3=C2OC(=O)C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C
InChI
InChI=1S/C20H24O9/c1-20(2)13(27-19-17(25)16(24)15(23)12(8-21)26-19)7-10-11(29-20)5-3-9-4-6-14(22)28-18(9)10/h3-6,12-13,15-17,19,21,23-25H,7-8H2,1-2H3/t12-,13-,15-,16+,17-,19+/m1/s1
InChIKey
BPBRRMGZTUDRDI-LDSJTTMQSA-N
Chemical Structure
2D Structure
2D structure of praeroside IV
CAS: 117233-34-8
CID: 44144278
Formula: C20H24O9
MW: 408.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.4
XLogP30.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass408.14203234
Monoisotopic Mass408.14203234
Topological Polar Surface Area135 Ų
Heavy Atom Count29
Formal Charge0
Complexity650
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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