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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000870

[(1S,2R,3R,4R,5R,6S,7S,8R,9R,10R,13R,14S,15S,16R,17S,18R)-8-acetyloxy-11-ethyl-5,7,14,15-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate

Formula: C34H47NO12  |  Mol. Weight: 661.70 g/mol

IUPAC: [(1S,2R,3R,4R,5R,6S,7S,8R,9R,10R,13R,14S,15S,16R,17S,18R)-8-acetyloxy-11-ethyl-5,7,14,15-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate

Overview

Molecular Formula C34H47NO12
Molecular Weight 661.70 g/mol
Canonical SMILES CCN1CC2(C3C(C4C1C3(C5CC6(C(C5C4(C(C6OC)O)OC(=O)C)OC(=O)C7=CC=CC=C7)O)C(C(C2O)O)OC)OC)COC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy