Tomatine from Tomato - 10mM in DMSO , CAS No.17406-45-0

Name: Tomatine from Tomato - 10mM in DMSO , CAS No.17406-45-0
Brand: Aladdin Scientific
SKU: T422138
Availability: InStock

CAS: 17406-45-0 Cat. No.: T422138 Molecular Weight: 1034.2 Beilstein Registry Number: 78250 EC Number: 241-429-5 PubChem CID: 28523

COA

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Tomatine from Tomato - 10mM in DMSO CAS No(17406-45-0) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs 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

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

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

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 -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

Pubchem Sid	528773658
Canonical Smiles	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
Isomeric 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
Molecular Weight	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
  - Class Steroids and steroid derivatives
    - Subclass Steroidal glycosides

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	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
Description	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 Structure

Associated Targets(Human)

A498 (42825 Activities)

Specific Rotation[α]	-33° (C=0.5,Pyridine)
Melt Point(°C)	291 °C
Molecular Weight	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