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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP037154

3'-Hydroxyechinenone

Formula: C40H54O2  |  Mol. Weight: 566.90 g/mol

IUPAC: 3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one

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Overview

Molecular Formula C40H54O2
Molecular Weight 566.90 g/mol
Canonical SMILES CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)CCC2(C)C)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy