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Chiirirhamnin

CAT: 0013-GTR19237196-03Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19237196-03Size:5 mg
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Description
Chiirirhamnin is a natural product from Aconitum chiisanense.
CAS Number
195450-50-1
Purity
>98% (HPLC)
Solubility
DMSO, Pyridine, Methanol, Ethanol, etc.
Molecular Formula
C27H30O15
Molecular Weight
594.5
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Chiirirhamnin

Chiirirhamnin has been reported in Aconitum jaluense and Aconitum chiisanense with data available.

CAS Number195450-50-1
PubChem CID101715620
IUPAC Name7-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Molecular FormulaC27H30O15
Molecular Weight594.5
XLogP-0.4
Topological Polar Surface Area245
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Heavy Atom Count42
Formal Charge0
Complexity985
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O
InChI
InChI=1S/C27H30O15/c1-9-17(31)21(35)25(42-26-23(37)20(34)18(32)15(8-28)41-26)27(38-9)39-12-6-13(30)16-14(7-12)40-24(22(36)19(16)33)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-21,23,25-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20-,21+,23+,25+,26-,27-/m0/s1
InChIKey
JWKCZROASSXZDQ-PXAPORNMSA-N
Chemical Structure
2D Structure
2D structure of Chiirirhamnin
CAS: 195450-50-1
CID: 101715620
Formula: C27H30O15
MW: 594.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight594.5
XLogP3-0.4
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Exact Mass594.15847025
Monoisotopic Mass594.15847025
Topological Polar Surface Area245 Ų
Heavy Atom Count42
Formal Charge0
Complexity985
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
VHA45050-01Chiirirhamnin

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