3',7'-Dihydroxy-2'-(hydroxymethyl)-2',4',7'-trimethyl-2',7'-dihydrospiro[cyclopropane-1,5'-inden]-6'(3'h)-one

Base Information

• Chemical Name: 3',7'-Dihydroxy-2'-(hydroxymethyl)-2',4',7'-trimethyl-2',7'-dihydrospiro[cyclopropane-1,5'-inden]-6'(3'h)-one
• CAS No.: 3779-56-4
• Molecular Formula: C₁₅H₂₀O₄
• Molecular Weight: 264.321
• NSC Number: 81414
• DSSTox Substance ID: DTXSID80958833
• Wikidata: Q82939367
• Mol file: 3779-56-4.mol

Synonyms:Isoilludin S;3779-56-4;NSC81414;3',7'-dihydroxy-2'-(hydroxymethyl)-2',4',7'-trimethyl-2',7'-dihydrospiro[cyclopropane-1,5'-inden]-6'(3'h)-one;DTXSID80958833;NSC-81414

Chemical Property of 3',7'-Dihydroxy-2'-(hydroxymethyl)-2',4',7'-trimethyl-2',7'-dihydrospiro[cyclopropane-1,5'-inden]-6'(3'h)-one

Chemical Property:

• XLogP3: -0.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 264.13615911
• Heavy Atom Count: 19
• Complexity: 540

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(C(C=C2C(C(=O)C13CC3)(C)O)(C)CO)O

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