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Fabiatrin

CAT: 1410-M29142-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M29142-02Size:2 mg
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Description
Fabiatrin is a natural product isolated and identified from n-butanol extract of Przewalskia tangutica.
CAS Number
18309-73-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
486.426
Molecular Formula
C21H26O13
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Fabiatrin

Fabiatrin has been reported in Physochlaina physaloides and Atractylodes lancea with data available.

CAS Number18309-73-4
PubChem CID10994544
IUPAC Name6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-2-one
Molecular FormulaC21H26O13
Molecular Weight486.4
XLogP-2.4
Topological Polar Surface Area194
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity733
SMILES
COC1=C(C=C2C(=C1)C=CC(=O)O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O)O)O
InChI
InChI=1S/C21H26O13/c1-29-11-4-8-2-3-14(23)32-10(8)5-12(11)33-21-19(28)17(26)16(25)13(34-21)7-31-20-18(27)15(24)9(22)6-30-20/h2-5,9,13,15-22,24-28H,6-7H2,1H3/t9-,13-,15+,16-,17+,18-,19-,20+,21-/m1/s1
InChIKey
AHBJPGDMGKOLJC-OJHUANBKSA-N
Chemical Structure
2D Structure
2D structure of Fabiatrin
CAS: 18309-73-4
CID: 10994544
Formula: C21H26O13
MW: 486.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight486.4
XLogP3-2.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Exact Mass486.13734088
Monoisotopic Mass486.13734088
Topological Polar Surface Area194 Ų
Heavy Atom Count34
Formal Charge0
Complexity733
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TBZ2099Fabiatrin
371429Fabiatrin discontinued

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