Tomatine from Tomato - ≥98% , CAS No.17406-45-0

Name: Tomatine from Tomato - ≥98% , CAS No.17406-45-0
SKU: T405064
Availability: InStock

CAS: 17406-45-0 Cat. No.: T405064 Summenformel: C₅₀H₈₃NO₂₁ Molekulargewicht: 1034.2 Beilstein Registry Number: 78250 EG-Nummer: 241-429-5 PubChem CID: 28523

COA

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GRADE & PURITY ≥98%

Synonyms

beta-D-Galactopyranoside, (3beta,5alpha,22beta,25S)-spirosolan-3-yl O-beta-D-glucopyranosyl-(1->2)-O-(beta-D-xylopyranosyl)-(1->3)-O-beta-D-glucopyranosyl-(1->4)- | Q288051 | s9444 | NSC-234440 | AKOS040756083 | NSC 9223 | REJLGAUYTKNVJM-SGXCCWNXSA-N | DT

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications Namen und Kennungen Documentation Advanced Data Taxonomic Classification 3D-Struktur Zugehörige Ziele (menschlich) Zugehörige Ziele (nicht menschlich) Wirkungsmechanismen Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm) Chemische und physikalische Eigenschaften Lösungsrechner Bewertungen

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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyme

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

omatine is a glycoalkaloid, found in the tomato plant (Lycopersicon esculentum Mill.). Tomatine elicits neurotoxicity in RIP1 kinase and caspase-independent manner. Tomatine promotes the upregulation of nuclear apoptosis inducing factor (AIF) in neuroblas

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504753384

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753384

Kanonisches Lächeln

CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)C)C)C)NC1

IUPAC Name

(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

InChIKey

REJLGAUYTKNVJM-SGXCCWNXSA-N

INCHI

1S/C50H83NO21/c1-20-7-12-50(51-15-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(63)37(60)41(31(18-54)68-45)69-47-43(71-46-39(62)36(59)34(57)29(16-52)66-46)42(35(58)30(17-53)67-47)70-44-38(61)33(56)27(55)19-64-44/h20-47,51-63H,5-19H2,1-4H3/t20-,21-,22-,23-,24+,25-,26-,27+,28-,29+,30+,31+,32-,33-,34+,35+,36-,37+,38+,39+,40+,41-,42-,43+,44-,45+,46-,47-,48-,49-,50-/m0/s1

Isomere SMILES

C[C@H]1CC[C@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)C)C)C)NC1

RTECS

XW1050000

PubChem CID

28523

Molekulargewicht

1034.2

Beilstein

78250

Reaxy-Rn

78250

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Klasse Steroids and steroid derivatives
    - Subclass Steroidal glycosides

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Klasse	Steroids and steroid derivatives
Subclass	Steroidal glycosides
Intermediate Tree Nodes	Not available
Direct Parent	Steroidal saponins
Alternative Parents	Diterpene glycosides Spirosolanes and derivatives Oligosaccharides Azasteroids and derivatives Diterpenoids O-glycosyl compounds Azaspirodecane derivatives Alkaloids and derivatives Piperidines Oxanes Tetrahydrofurans Hemiaminals Secondary alcohols Acetals Polyols Dialkylamines Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Primary alcohols Organopnictogen compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Steroidal saponin - Diterpene glycoside - Spirosolane skeleton - Oligosaccharide - Diterpenoid - Steroidal alkaloid - Azasteroid - Terpene glycoside - Glycosyl compound - O-glycosyl compound - Azaspirodecane - Alkaloid or derivatives - Oxane - Piperidine - Tetrahydrofuran - Secondary alcohol - Hemiaminal - Polyol - Secondary amine - Acetal - Secondary aliphatic amine - Oxacycle - Organoheterocyclic compound - Azacycle - Primary alcohol - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alcohol - Aliphatic heteropolycyclic compound
Beschreibung	This compound belongs to the class of organic compounds known as steroidal saponins. These are saponins in which the aglycone moiety is a steroid. The steroidal aglycone is usually a spirostane, furostane, spirosolane, solanidane, or curcubitacin derivative.
External Descriptors	Solanidines and alkaloid derivatives
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D-Struktur

Zugehörige Ziele (menschlich)

A498 (42825 Activities)

Lot Number	Certificate Type	Datum	Artikel
I2616070	Certificate of Analysis	Sep 23, 2026	T405064
I2223034	Certificate of Analysis	Jul 15, 2025	T405064
I2223036	Certificate of Analysis	Jul 15, 2025	T405064
I2223037	Certificate of Analysis	Jul 15, 2025	T405064
I2223038	Certificate of Analysis	Jul 15, 2025	T405064
I2223039	Certificate of Analysis	Jul 15, 2025	T405064

Löslichkeit	Solubility in water: Practically insoluble; Soluble in Ethanol,Methanol,Dioxane; Very slightly soluble in Benzene,Chloroform,Ether
Spezifische Drehung [α]	-33° (C=0.5,Pyridine)
Schmelzpunkt (°C)	291 °C
Molekulargewicht	1034.200 g/mol
XLogP3	-0.700
Hydrogen Bond Donor Count	13
Hydrogen Bond Acceptor Count	22
Rotatable Bond Count	11
Exact Mass	1033.55 Da
Monoisotopic Mass	1033.55 Da
Topological Polar Surface Area	338.000 Å²
Heavy Atom Count	72
Formal Charge	0
Complexity	1840.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	31
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Tomatine from Tomato - ≥98% , CAS No.17406-45-0

Storage & shipping

Quality documents

Literature proof

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

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