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Ambonin

CAT: 0013-GTR19195656-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195656-02Size:100 mg
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Description
Ambonin is a biochemical compound utilized in research. It is applied in both in vitro and in vivo studies to investigate cellular mechanisms, particularly within the fields of pharmacology and molecular biology.
CAS Number
108044-04-8
Smiles
OC[C@@]1 (O) CO[C@@H] (OC[C@H]2O[C@@H] (Oc3ccc4c (c3) occ (-c3ccc (O) cc3) c4=O) [C@H] (O) [C@@H] (O) [C@@H]2O) [C@@H]1O
Molecular Formula
C26H28O13
Molecular Weight
548.497
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ambonin

Ambonin has been reported in Neorautanenia with data available.

CAS Number108044-04-8
PubChem CID183918
IUPAC Name7-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-(4-hydroxyphenyl)chromen-4-one
Molecular FormulaC26H28O13
Molecular Weight548.5
XLogP-1.1
Topological Polar Surface Area205
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Heavy Atom Count39
Formal Charge0
Complexity891
SMILES
C1C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C3)C(=O)C(=CO4)C5=CC=C(C=C5)O)O)O)O)O)(CO)O
InChI
InChI=1S/C26H28O13/c27-10-26(34)11-37-25(23(26)33)36-9-18-20(30)21(31)22(32)24(39-18)38-14-5-6-15-17(7-14)35-8-16(19(15)29)12-1-3-13(28)4-2-12/h1-8,18,20-25,27-28,30-34H,9-11H2
InChIKey
VXFVOLUPWBOJSY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ambonin
CAS: 108044-04-8
CID: 183918
Formula: C26H28O13
MW: 548.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight548.5
XLogP3-1.1
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Exact Mass548.15299094
Monoisotopic Mass548.15299094
Topological Polar Surface Area205 Ų
Heavy Atom Count39
Formal Charge0
Complexity891
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count8
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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