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

HCID 98133

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Basic information

CAS: 3779-56-4
Standard SMILES: CC1=C2C(=CC(C)(CO)C2O)C(C)(O)C(=O)C12CC2
InChIKey: ZWMQGXMHSMRYFW-UHFFFAOYSA-N
Molecular formula: C15H20O4
Average molar mass: 264.32 g/mol
Monoisotopic mass: 264.13615911

Overview

Isoilludin S has been reported in Omphalotus guepiniiformis and Omphalotus guepiniformis with data available.

Names & identifiers

Preferred name: 3',7'-Dihydroxy-2'-(hydroxymethyl)-2',4',7'-trimethyl-2',7'-dihydrospiro[cyclopropane-1,5'-inden]-6'(3'h)-one
IUPAC: 1,4-dihydroxy-2-(hydroxymethyl)-2,4,7-trimethylspiro[1H-indene-6,1'-cyclopropane]-5-one

Names & synonyms

3779-56-4Isoilludin S3',7'-dihydroxy-2'-(hydroxymethyl)-2',4',7'-trimethyl-2',7'-dihydrospiro[cyclopropane-1,5'-inden]-6'(3'h)-oneNSC81414DTXSID80958833NSC-81414

Database identifiers

CAS: 3779-56-4
PubChem CID: 98133
DTXSID: DTXSID80958833

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 77.8 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 19
Formal charge: 0
Complexity: 540

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