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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001661

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

Formula: C35H47NO13  |  Mol. Weight: 689.70 g/mol

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

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Overview

Molecular Formula C35H47NO13
Molecular Weight 689.70 g/mol
Canonical SMILES CC(=O)OC12CC(C3(CC(C1C3OC(=O)C4=CC(=C(C=C4)OC)OC)C56C(CC(C7(C5C(C2C6N(C7)C=O)OC)COC)O)OC)O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy