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Strictinin

CAT: 0013-GTR19219363-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219363-02Size:5 mg
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Description
Strictinin, a phenolic compound from Pu'er tea, is a research tool for studying gastrointestinal pharmacology. It accelerates intestinal transit in vivo without affecting gastric emptying or causing diarrhea, making it useful for investigating gut motility and related disorders.
CAS Number
517-46-4
Field of Research
Infectious Disease & Virology
Smiles
O=C1OCC2OC (OC (=O) C3=CC (O) =C (O) C (O) =C3) C (O) C (O) C2OC (=O) C4=CC (O) =C (O) C (O) =C4C=5C (O) =C (O) C (O) =CC15
Molecular Formula
C27H22O18
Molecular Weight
634.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Strictinin

Strictinin has been reported in Camellia sinensis, Euphorbia prostrata, and other organisms with data available.

CAS Number517-46-4
PubChem CID73330
IUPAC Name[(10S,11R,12R,13S,15R)-3,4,5,11,12,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-13-yl] 3,4,5-trihydroxybenzoate
Molecular FormulaC27H22O18
Molecular Weight634.5
XLogP0.1
Topological Polar Surface Area311
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count18
Rotatable Bond Count3
Heavy Atom Count45
Formal Charge0
Complexity1090
SMILES
C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O
InChI
InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)21(37)23-13(43-27)5-42-25(40)7-3-11(30)17(33)19(35)14(7)15-8(26(41)44-23)4-12(31)18(34)20(15)36/h1-4,13,21-23,27-38H,5H2/t13-,21-,22-,23-,27+/m1/s1
InChIKey
FYIJLTSMNXUNLT-CXQFPWCTSA-N
Chemical Structure
2D Structure
2D structure of Strictinin
CAS: 517-46-4
CID: 73330
Formula: C27H22O18
MW: 634.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight634.5
XLogP30.1
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count18
Rotatable Bond Count3
Exact Mass634.08061385
Monoisotopic Mass634.08061385
Topological Polar Surface Area311 Ų
Heavy Atom Count45
Formal Charge0
Complexity1090
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

Alternative Products

CatalogName
MBS5822733Strictinin

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