Solasodine , CAS No.126-17-0

CAS: 126-17-0 Cat. No.: S125251 Molecular Weight: 413.64 PubChem CID: 442985
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Synonyms
MLS001164064 | Spirosol-5-en-3-ol, (3beta,22alpha,25R)- | Purapuridine | SR-01000814832-4 | UNII-L40Y453Y96 | Prestwick3_000663 | SMR000539436 | BPBio1_000799 | NSC178260 | NSC-178260 | SOLASODINE [MI] | NSC-179187 | SR-01000814832-3 | AS-57305 | SMR00145
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
50mg
S125251-50mg
2
$147.90
100mg
S125251-100mg
2
$256.90
250mg
S125251-250mg
1
$578.90
Enter a quantity for the sizes you want to add.
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

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.

📚

Literature proof

Cited in 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Solasodine(Purapuridine) is a poisonous alkaloid chemical compound that occurs in plants of the Solanaceae family. Solasodine showed selective cytotoxicity against cervical cancer cell line (HeLa) and human myeloid leukemia cell line (U937).
A potentially useful precursor.

Specifications

Synonyms
MLS001164064 | Spirosol-5-en-3-ol, (3beta, 22alpha, 25R)- | Purapuridine | SR-01000814832-4 | UNII-L40Y453Y96 | Prestwick3_000663 | SMR000539436 | BPBio1_000799 | NSC178260 | NSC-178260 | SOLASODINE [MI] | NSC-179187 | SR-01000814832-3 | AS-57305 | SMR00145
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers
Pubchem Sid504758790
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504758790
Canonical SmilesCC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)NC1
IUPAC Name(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-ol
InChIKeyKWVISVAMQJWJSZ-VKROHFNGSA-N
INCHI1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/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=C6[C@@]5(CC[C@@H](C6)O)C)C)C)NC1
PubChem CID 442985
Molecular Weight 413.64

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

KingdomOrganic compounds
SuperclassLipids and lipid-like molecules
ClassSteroids and steroid derivatives
SubclassSteroidal alkaloids
Intermediate Tree Nodes Not available
Direct ParentSpirosolanes and derivatives
Alternative Parents 3-beta-hydroxy delta-5-steroids  3-beta-hydroxysteroids  Delta-5-steroids  Azasteroids and derivatives  Azaspirodecane derivatives  Alkaloids and derivatives  Piperidines  Tetrahydrofurans  Secondary alcohols  Hemiaminals  Cyclic alcohols and derivatives  Oxacyclic compounds  Azacyclic compounds  Dialkylamines  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAliphatic heteropolycyclic compounds
Substituents Spirosolane skeleton - 3-hydroxy-delta-5-steroid - 3-hydroxysteroid - Hydroxysteroid - 3-beta-hydroxysteroid - 3-beta-hydroxy-delta-5-steroid - Azasteroid - Delta-5-steroid - Azaspirodecane - Alkaloid or derivatives - Piperidine - Cyclic alcohol - Tetrahydrofuran - Secondary alcohol - Hemiaminal - Organoheterocyclic compound - Azacycle - Secondary aliphatic amine - Oxacycle - Secondary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Amine - Alcohol - Organic oxygen compound - Aliphatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as spirosolanes and derivatives. These are steroidal alkaloids with a structure containing a spirosolane skeleton. Siporosolane is a polycyclic compound that is characterized by a 1-oxa-6-azaspiro[4.5]decane moiety where the oxolane ring is fused to a docosahydronaphth[2,1:4',5']indene ring system. Spirosolane arises from the conversion of a cholestane side-chain into a bicyclic system containing a piperidine and a tetrahydrofuran ring.
External Descriptors Solanidines and alkaloid derivatives - Steroidal alkaloids
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Saccharomyces cerevisiae (19171 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Serine/threonine-protein phosphatase (23 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATP-dependent molecular chaperone HSP82 (2186 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot NumberCertificate TypeDateItem
E2230202Certificate of AnalysisDec 12, 2025 S125251
E2230212Certificate of AnalysisDec 12, 2025 S125251
E2230215Certificate of AnalysisDec 12, 2025 S125251
J2517753Certificate of AnalysisOct 27, 2025 S125251
Chemical and Physical Properties
SolubilityFreely soluble in benzene, pyridine, chloroform, acetone (3.5 mg/ml) at 30 °C, methanol (9.5 mg/ml) at 30 °C, 95% ethanol (5.0 mg/ml) at 30 °C, n-hexane (<1.0 mg/ml) at 30 °C, and water (<1.0 mg/ml) at 30 °C. Practically insoluble in ether.
Sensitivitylight sensitive
Molecular Weight413.600 g/mol
XLogP35.400
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass413.329 Da
Monoisotopic Mass413.329 Da
Topological Polar Surface Area41.500 Ų
Heavy Atom Count30
Formal Charge0
Complexity749.000
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Mei Qu, Peng Xue, Qi Zhang, Tiantian Lu, Kun Liu, Bingying Hu, Jingjing Pang, Qianqian Xiao, Tongxin Xu, Quande Wang, Zhongzhe Cheng.  (2021)  Pharmacokinetics, oral bioavailability and metabolic analysis of solasodine in mice by dried blood spot LC-MS/MS and UHPLC-Q-Exactive MS.  JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,      [PMID:34979491] [10.1016/j.jpba.2021.114542]
2. Fajun Wang, Jinpei Huang, Jianhong Xu.  (2018)  Continuous-flow synthesis of azo dyes in a microreactor system.  Chemical Engineering and Processing-Process Intensification,      [PMID:] [10.1016/j.cep.2018.03.014]
Solution Calculators
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