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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP016085

Scopadulin

Formula: C27H36O5  |  Mol. Weight: 440.60 g/mol

IUPAC: (1S,2S,6R,7R,8R,10R,12R,13R)-8-benzoyloxy-13-hydroxy-2,6,13-trimethyltetracyclo[10.3.1.01,10.02,7]hexadecane-6-carboxylic acid

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Overview

Molecular Formula C27H36O5
Molecular Weight 440.60 g/mol
Canonical SMILES CC1(CCC23CC1CC2CC(C4C3(CCCC4(C)C(=O)O)C)OC(=O)C5=CC=CC=C5)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy