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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005446

[(1S,4R,9R,10R,13R,14R)-14-hydroxy-5,5,9-trimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl (1S,4S,6R,9S,10R,13R,14R)-6-acetyloxy-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-14-carboxylate

Formula: C42H66O5  |  Mol. Weight: 651.00 g/mol

IUPAC: [(1S,4R,9R,10R,13R,14R)-14-hydroxy-5,5,9-trimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl (1S,4S,6R,9S,10R,13R,14R)-6-acetyloxy-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-14-carboxylate

Overview

Molecular Formula C42H66O5
Molecular Weight 651.00 g/mol
Canonical SMILES CC(=O)OC1CCC2(C3CCC4CC3(CCC2C1(C)C)CC4C(=O)OCC5(CC67CCC8C(CCCC8(C6CCC5C7)C)(C)C)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy