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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038355

[(1R)-4-[(3E,5E,7E,9E,11E,13E,15E,19E,22S)-22-hydroxy-3,7,12,16,19,20-hexamethyl-17,24-dioxopentacosa-3,5,7,9,11,13,15,19-octaen-1-ynyl]-3,5,5-trimethylcyclohex-3-en-1-yl] acetate

Formula: C42H56O5  |  Mol. Weight: 640.90 g/mol

IUPAC: [(1R)-4-[(3E,5E,7E,9E,11E,13E,15E,19E,22S)-22-hydroxy-3,7,12,16,19,20-hexamethyl-17,24-dioxopentacosa-3,5,7,9,11,13,15,19-octaen-1-ynyl]-3,5,5-trimethylcyclohex-3-en-1-yl] acetate

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Overview

Molecular Formula C42H56O5
Molecular Weight 640.90 g/mol
Canonical SMILES CC1=C(C(CC(C1)OC(=O)C)(C)C)C#CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C(=O)CC(=C(C)CC(CC(=O)C)O)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy