Illudin S - ≥98% , CAS No.1149-99-1

Name: Illudin S - ≥98% , CAS No.1149-99-1
SKU: I329464
Availability: InStock

CAS: 1149-99-1 Cat. No.: I329464 Fórmula: C₁₅H₂₀O₄ Peso molecular: 264.32

COA

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Illudin S - ≥98% CAS No(1149-99-1) by Aladdin Scientific

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Disponível para encomenda

GRADE & PURITY ≥98%

Synonyms

(2'S,3'R,6'R)-2',3'-Dihydro-3',6'-dihydroxy-2'-(hydroxymethyl)-2',4',6'-trimethylspiro[cyclopropane-1,5'-[5H]inden]-7'(6'H)-one | NCI60_003751 | (-)-Illudin S | C09688 | NSC 626369 | Spiro[cyclopropane-1, 2',3'-dihydro-3',6'-dihydroxy-2'-(hydroxymethyl)-2

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral Specifications Propriedades do produto Nomes e identificadores Documentation Advanced Data Taxonomic Classification Estrutura 3D Alvos associados (humanos) Alvos associados (não humanos) Mecanismos de ação Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas Calculadoras de soluções Revisões

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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.

Visão geral

Illudin S is potent antitumor sesquiterpene, first isolated from the fungus,|Clitocybe illudens|, in 1963. Illudin S is metabolically activated to reactive intermediates that bind DNA. The DNA damage appears to differ from that of other reactive metabolites. Importantly, illudin S exhibits in vitro and in vivo potency against multi-drug resistant tumours.

Specifications

Sinónimos

Especificações e pureza

≥98%

Fonte

Pleurotus lampas

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Propriedades do produto

pKa

pKₐ: 12.5 (Predicted)

Nomes e identificadores

Sorrisos canónicos

CC1=C2C(C(C=C2C(=O)C(C13CC3)(C)O)(C)CO)O

IUPAC Name

(1R,2S,5R)-1,5-dihydroxy-2-(hydroxymethyl)-2,5,7-trimethylspiro[1H-indene-6,1'-cyclopropane]-4-one

InChIKey

DDLLIYKVDWPHJI-RDBSUJKOSA-N

INCHI

1S/C15H20O4/c1-8-10-9(6-13(2,7-16)12(10)18)11(17)14(3,19)15(8)4-5-15/h6,12,16,18-19H,4-5,7H2,1-3H3/t12-,13+,14+/m1/s1

SMILES isoméricas

CC1=C2[C@H]([C@](C=C2C(=O)[C@](C13CC3)(C)O)(C)CO)O

RTECS

WH0204300

Peso molecular

264.32

Reaxy-Rn

2702356

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2702356&ln=

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
  - Classe Prenol lipids
    - Subclass Sesquiterpenoids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Classe	Prenol lipids
Subclass	Sesquiterpenoids
Intermediate Tree Nodes	Not available
Direct Parent	Illudanes and illudins
Alternative Parents	Cyclohexenones Acyloins Tertiary alcohols Secondary alcohols Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Illudine sesquiterpenoid - Cyclohexenone - Acyloin - Tertiary alcohol - Secondary alcohol - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic homopolycyclic compound
Descrição	This compound belongs to the class of organic compounds known as illudanes and illudins. These are sesquiterpenoids containing either the illudane moiety (based on a 3,6,6,7b-tetramethyl-decahydro-1H-cyclobuta[e]indene ring system), the illudin moiety (2',2',4',6'-tetramethyl-octahydrospiro[cyclopropane-1,5'-indene]), or a derivative thereof.
External Descriptors	Illudane and protoilludane sesquiterpenoids
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

Estrutura 3D

Alvos associados (humanos)

A498 (42825 Activities)

Solubilidade	Soluble in ethanol, methanol, DMSO, DMF, and water (limited).
Índice de refração	n20D1.62 (Predicted)
Ponto de ebulição (°C)	~509.6° C at 760 mmHg (Predicted)
Ponto de fusão (°C)	171.93° C (Predicted)
Peso molecular	264.320 g/mol
XLogP3	0.100
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	264.136 Da
Monoisotopic Mass	264.136 Da
Topological Polar Surface Area	77.800 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	540.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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