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Glaucin B

CAT: 0013-GTR19221911-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19221911-02Size:5 mg
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Description
Glaucin B is a recently identified bitter-tasting limonoid. It serves as a valuable research tool for studying bitter taste receptors and can be utilized in both in vitro assays and in vivo models of taste perception and feeding behavior.
CAS Number
115458-73-6
Smiles
[H][C@]12O[C@@]11[C@@] (C) (CC[C@]3 ([H]) [C@@]45COC (=O) C[C@]4 ([H]) OC (C) (C) [C@@]5 ([H]) [C@H] (OC (C) =O) C (=O) [C@@]13C) [C@@] ([H]) (OC2=O) c1ccoc1
Molecular Formula
C28H32O10
Molecular Weight
528.554
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Glaucin B

(1R,2R,7S,10R,11S,13R,14R,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-5,12,17-trioxo-4,8,15,18-tetraoxahexacyclo[11.9.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁶.0¹⁴,²⁰]docosan-11-yl acetate has been reported in Tetradium glabrifolium with data available.

CAS Number115458-73-6
PubChem CID14021705
IUPAC Name[(1R,2R,7S,10R,11S,13R,14R,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-5,12,17-trioxo-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosan-11-yl] acetate
Molecular FormulaC28H32O10
Molecular Weight528.5
XLogP1.8
Topological Polar Surface Area131
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count38
Formal Charge0
Complexity1150
SMILES
CC(=O)O[C@H]1[C@H]2[C@@]3(COC(=O)C[C@@H]3OC2(C)C)[C@H]4CC[C@]5([C@@H](OC(=O)[C@@H]6[C@@]5([C@@]4(C1=O)C)O6)C7=COC=C7)C
InChI
InChI=1S/C28H32O10/c1-13(29)35-18-19-24(2,3)37-16-10-17(30)34-12-27(16,19)15-6-8-25(4)21(14-7-9-33-11-14)36-23(32)22-28(25,38-22)26(15,5)20(18)31/h7,9,11,15-16,18-19,21-22H,6,8,10,12H2,1-5H3/t15-,16-,18-,19+,21-,22+,25-,26-,27-,28+/m0/s1
InChIKey
IHOHGVDNDQTZGL-MDOWBRFOSA-N
Chemical Structure
2D Structure
2D structure of Glaucin B
CAS: 115458-73-6
CID: 14021705
Formula: C28H32O10
MW: 528.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight528.5
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass528.19954721
Monoisotopic Mass528.19954721
Topological Polar Surface Area131 Ų
Heavy Atom Count38
Formal Charge0
Complexity1150
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

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CatalogName
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