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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP017319

[(1S,2R,3R,5R,7S,10S,11R,14R,15S)-3-hydroxy-15-[(2S,3S,5R)-2-methoxy-5-[(1S,2R)-1,2,3-trihydroxy-2-methylpropyl]oxolan-3-yl]-2,6,6,10-tetramethyl-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] 3-methylbut-2-enoate

Formula: C36H58O8  |  Mol. Weight: 618.80 g/mol

IUPAC: [(1S,2R,3R,5R,7S,10S,11R,14R,15S)-3-hydroxy-15-[(2S,3S,5R)-2-methoxy-5-[(1S,2R)-1,2,3-trihydroxy-2-methylpropyl]oxolan-3-yl]-2,6,6,10-tetramethyl-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] 3-methylbut-2-enoate

Overview

Molecular Formula C36H58O8
Molecular Weight 618.80 g/mol
Canonical SMILES CC(=CC(=O)OC1CCC2(C3CCC45CC4(C3(C(CC2C1(C)C)O)C)CCC5C6CC(OC6OC)C(C(C)(CO)O)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy