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Bruceoside A

CAT: 0013-GTR19181953-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19181953-03Size:10 mg
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Description
Bruceoside A is a bitter glycoside isolated from Opuntia species, investigated for its anticancer properties. Research indicates it exhibits activity against tumor cells in vitro and has shown potential in studies related to leukemia, making it a compound of interest in oncology research.
CAS Number
63306-30-9
Product Name Alternative
Bruceoside A, RNA synthesis
Purity
>99.99% (May vary between batches)
Solubility
DMSO:100 mg/mL (146.48 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:4 mg/mL (5.86 mM)
Smiles
C (OC) (=O) [C@]12[C@]3 ([C@]4 ([C@@] ([C@]5 (C) [C@@] (C[C@]4 (OC (=O) [C@@H]3OC (C=C (C) C) =O) [H]) ([C@H] (C) C (=O) C (O[C@@H]6O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]6O) =C5) [H]) ([C@@H] (O) [C@@H]1O) [H]) CO2) [H]
Molecular Formula
C32H42O16
Molecular Weight
682.67
Storage Conditions
Store at low temperature | Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

Picras-1-en-21-oic acid, 13,20-epoxy-2-(beta-D-glucopyranosyloxy)-11,12-dihydroxy-15-((3-methyl-1-oxo-2-buten-1-yl)oxy)-3,16-dioxo-, methyl ester, (11beta,12alpha,15beta)-

Bruceoside A is a triterpenoid saponin.

CAS Number63306-30-9
PubChem CID441789
IUPAC Namemethyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17S)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate
Molecular FormulaC32H42O16
Molecular Weight682.7
XLogP0.1
Topological Polar Surface Area245
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Heavy Atom Count48
Formal Charge0
Complexity1440
SMILES
C[C@H]1[C@@H]2C[C@@H]3[C@@]45CO[C@@]([C@@H]4[C@H](C(=O)O3)OC(=O)C=C(C)C)([C@H]([C@@H]([C@@H]5[C@]2(C=C(C1=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)O)C(=O)OC
InChI
InChI=1S/C32H42O16/c1-11(2)6-17(34)48-23-25-31-10-44-32(25,29(42)43-5)26(40)22(39)24(31)30(4)8-14(18(35)12(3)13(30)7-16(31)47-27(23)41)45-28-21(38)20(37)19(36)15(9-33)46-28/h6,8,12-13,15-16,19-26,28,33,36-40H,7,9-10H2,1-5H3/t12-,13-,15+,16+,19+,20-,21+,22+,23+,24+,25+,26-,28+,30-,31+,32-/m0/s1
InChIKey
AKSGLPBROCFVSE-TUHDNREHSA-N
Chemical Structure
2D Structure
2D structure of Picras-1-en-21-oic acid, 13,20-epoxy-2-(beta-D-glucopyranosyloxy)-11,12-dihydroxy-15-((3-methyl-1-oxo-2-buten-1-yl)oxy)-3,16-dioxo-, methyl ester, (11beta,12alpha,15beta)-
CAS: 63306-30-9
CID: 441789
Formula: C32H42O16
MW: 682.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight682.7
XLogP30.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Exact Mass682.24728525
Monoisotopic Mass682.24728525
Topological Polar Surface Area245 Ų
Heavy Atom Count48
Formal Charge0
Complexity1440
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
M31791-01Bruceoside A
M39281-01Bruceoside B
HY-N16507Bruceoside D

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