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Tuberine, (+) -

CAT: 0013-GTR19211682-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19211682-01Size:25 mg
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Description
(+) -Tuberine is a natural alkaloid isolated from Haplophyllum tuberculatum with potent antimicrobial properties. It demonstrates strong activity against Staphylococcus aureus, Bacillus subtilis, and Saccharomyces cerevisiae in vitro, with milder effects on Escherichia coli. This compound is a valuable research tool for studying novel antibiotic mechanisms and microbial resistance.
CAS Number
97400-75-4
Smiles
[C@] (OC (C) =O) (C) (C) [C@H]1O[C@@] ([C@@H] (COC2=CC=C (CCNC (=O) C3=CC=CC=C3) C=C2) O) (C) CC1
Molecular Formula
C27H35NO6
Molecular Weight
469.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tuberine, (+)-
CAS Number97400-75-4
PubChem CID9982128
IUPAC Name2-[(2S,5S)-5-[(1R)-2-[4-(2-benzamidoethyl)phenoxy]-1-hydroxyethyl]-5-methyloxolan-2-yl]propan-2-yl acetate
Molecular FormulaC27H35NO6
Molecular Weight469.6
XLogP3.7
Topological Polar Surface Area94.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count34
Formal Charge0
Complexity668
SMILES
CC(=O)OC(C)(C)[C@@H]1CC[C@@](O1)(C)[C@@H](COC2=CC=C(C=C2)CCNC(=O)C3=CC=CC=C3)O
InChI
InChI=1S/C27H35NO6/c1-19(29)33-26(2,3)24-14-16-27(4,34-24)23(30)18-32-22-12-10-20(11-13-22)15-17-28-25(31)21-8-6-5-7-9-21/h5-13,23-24,30H,14-18H2,1-4H3,(H,28,31)/t23-,24+,27+/m1/s1
InChIKey
GFABGVSRKCKLKA-DXBVXKBHSA-N
Chemical Structure
2D Structure
2D structure of Tuberine, (+)-
CAS: 97400-75-4
CID: 9982128
Formula: C27H35NO6
MW: 469.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight469.6
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass469.24643784
Monoisotopic Mass469.24643784
Topological Polar Surface Area94.1 Ų
Heavy Atom Count34
Formal Charge0
Complexity668
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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