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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP034653

[(1S,4S,5R,9S,10R,13R,14S)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyl-6-oxo-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl (E)-2-methylbut-2-enoate

Formula: C25H38O5  |  Mol. Weight: 418.60 g/mol

IUPAC: [(1S,4S,5R,9S,10R,13R,14S)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyl-6-oxo-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl (E)-2-methylbut-2-enoate

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Overview

Molecular Formula C25H38O5
Molecular Weight 418.60 g/mol
Canonical SMILES CC=C(C)C(=O)OCC1(C2CCC34CC(CCC3C2(CCC1=O)C)C(C4)(CO)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy