Bruceoside A

CAT: 0013-GTR19181953-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19181953-01Size:1 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 Number	63306-30-9
PubChem CID	441789
IUPAC Name	methyl (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 Formula	C32H42O16
Molecular Weight	682.7
XLogP	0.1
Topological Polar Surface Area	245
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	8
Heavy Atom Count	48
Formal Charge	0
Complexity	1440

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

CAS: 63306-30-9

CID: 441789

Formula: C32H42O16

MW: 682.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	682.7
XLogP3	0.1
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	8
Exact Mass	682.24728525
Monoisotopic Mass	682.24728525
Topological Polar Surface Area	245 Å²
Heavy Atom Count	48
Formal Charge	0
Complexity	1440
Isotope Atom Count	0
Defined Atom Stereocenter Count	16
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
M31791-01	Bruceoside A
M39281-01	Bruceoside B
HY-N16507	Bruceoside D

Bruceoside A

Chemical Information

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