Illudin S - ≥98% , CAS No.1149-99-1

CAS: 1149-99-1 Cat. No.: I329464 Molecular Weight: 264.32

COA

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

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AVAILABLE TO ORDER

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

Overview Specifications Product Properties 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

≥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.

Overview

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

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

Specifications & Purity

≥98%

Source

Pleurotus lampas

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.

Purity

≥98%

Product Properties

pKa	pKₐ: 12.5 (Predicted)

Names and Identifiers

Canonical Smiles	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
Isomeric SMILES	CC1=C2[C@H]([C@](C=C2C(=O)[C@](C13CC3)(C)O)(C)CO)O
RTECS	WH0204300
Molecular Weight	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
  - Class Prenol lipids
    - Subclass Sesquiterpenoids

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

3D Structure

Associated Targets(Human)

A498 (42825 Activities)

Solubility	Soluble in ethanol, methanol, DMSO, DMF, and water (limited).
Refractive Index	n20D1.62 (Predicted)
Boil Point(°C)	~509.6° C at 760 mmHg (Predicted)
Melt Point(°C)	171.93° C (Predicted)
Molecular Weight	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