Tubeimoside III

Basic Information

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CAS Number

115810-13-4

Molecular Formula

C64H100O31

Molecular Weight

1365.5 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

SMILES

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CC1C2C(C(C(O1)OC3C(C(COC3OC(=O)C45CCC(CC4C6=CCC7C(C6(CC5O)C)(CCC8C7(CC(C(C8(C)CO)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)COC(=O)CC(CC(=O)O2)(C)O)O)O)O)O)C)C)(C)C)O)O)O)OC1C(C(C(CO1)O)O)O

InChI

InChI=1S/C64H100O31/c1-25-47-48(91-52-44(79)38(73)29(68)21-85-52)46(81)54(87-25)92-49-39(74)30(69)22-86-55(49)95-57(82)64-14-13-58(2,3)15-27(64)26-9-10-34-60(5)16-28(67)51(61(6,24-66)33(60)11-12-62(34,7)63(26,8)17-35(64)70)94-56-50(43(78)40(75)31(20-65)88-56)93-53-45(80)42(77)41(76)32(89-53)23-84-36(71)18-59(4,83)19-37(72)90-47/h9,25,27-35,38-56,65-70,73-81,83H,10-24H2,1-8H3

InChIKey

MTICHQXHYUJVDV-UHFFFAOYSA-N

LogP

-4.344699999999996

Topological Polar Surface Area

485.65000000000015 Å²

Hydrogen Bond Donor/Acceptor

16 / 31

Complexity

2800

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

7,8,18,24,25,26,30,31,37,53,59-undecahydroxy-32,56-bis(hydroxymethyl)-13,18,39,43,50,50,55,56-octamethyl-58-(3,4,5-trihydroxyoxan-2-yl)oxy-3,5,10,12,15,21,28,33,35,57-decaoxadecacyclo[41.9.3.211,14.123,27.136,40.01,48.04,9.029,34.039,44.047,55]nonapentacont-46-ene-2,16,20-trione
Tubeimoside III
FT-0775339
115810-13-4
Olean-12-en-28-oic acid, 3-((2-O-(6-O-(4-carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl)-beta-D-glucopyranosyl)oxy)-2,16,23-trihydroxy-, 28-(O-beta-D-xylopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl) ester, intramol. ester, (2beta,3beta(S),4alpha,16alpha)-
(2beta,3beta(S),4alpha,16alpha)-28-(O-beta-D-Xylopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl) 3-((2-O-(6-O-(4-carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl)-beta-D-glucopyranosyl)oxy)-2,16,23-trihydroxyolean-12-en-28-oate
AKOS037514884
TubeiMosideIII
Olean-12-en-28-oicacid, 3-[[2-O-[6-O-[(3S)-4-carboxy-3-hydroxy-3-methyl-1-oxobutyl]-b-D-glucopyranosyl]-b-D-glucopyranosyl]oxy]-2,16,23-trihydroxy-,28-(O-b-D-xylopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®2)-a-L-arabinopyranosyl) ester, intramol. 6''(3)®4''(28)-ester, (2b,3b,4a,16a)-
Olean-12-en-28-oicacid, 3-[[2-O-[6-O-[(3S)-4-carboxy-3-hydroxy-3-methyl-1-oxobutyl]-b-D-glucop...
Tubeimoside C
Olean-12-en-28-oic acid, 3-((2-O-(6-O-(4-carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl)-beta-D-glucopyranosyl)oxy)-2,16,23-trihydroxy-
TubeimosideⅢ
Tubeimoside III;
(1R,4S,7S,8S,9R,11S,13S,14S,18S,23S,24R,25R,26S,27S,29R,30S,31S,32R,34R,36R,37S,39R,40R,43R,44R,48S,
CID 102004830

MDL Number

MFCD22586602

FAQ

What regulatory guidelines apply to Tubeimoside III (CAS: 115810-13-4)?

Tubeimoside III (CAS: 115810-13-4) falls under the purview of the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) for classification based on its physical and chemical properties. In the European Union, it is regulated under the Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) regulation. For the United States, the Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) have specific requirements for handling and use. Regulatory guidelines include safety data sheets (SDS), proper labeling, and the need for risk assessments prior to manufacture and use.

Are there alternatives to Tubeimoside III (CAS: 115810-13-4) in synthesis?

There are several alternatives to Tubeimoside III (CAS: 115810-13-4) in synthesis, including similar triterpene compounds and their analogs. These alternatives can offer comparable biological activities and are often synthesized using different starting materials or reaction pathways. Common alternative reagents include saponins, sterols, and other triterpenoids, which can be used as substitutes depending on the specific application and desired outcome.

What is the market or research trend for Tubeimoside III (CAS: 115810-13-4)?

Tubeimoside III (CAS: 115810-13-4) has gained interest in recent research due to its potential biological activities, particularly in cancer therapy. Market trends indicate increasing demand for its use in pharmaceutical and biotechnology applications. Research is focusing on understanding its mechanism of action, optimizing synthesis techniques, and exploring its therapeutic potential. The trend suggests a growing focus on natural products and their derivatives in drug development.

How should waste containing Tubeimoside III (CAS: 115810-13-4) be handled?

Waste containing Tubeimoside III (CAS: 115810-13-4) should be collected in appropriate containers and labeled with the relevant hazard information. Disposal methods include incineration, which is a common practice for organic waste. Alternatively, professional waste disposal services can be utilized to ensure compliance with local regulations. Environmental protection measures include minimizing the release of waste into the environment and ensuring that all disposal activities are conducted in accordance with regulatory requirements. Proper training and safety protocols should be followed to prevent any hazards during handling and disposal.