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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP039022

(1S,9S,10S)-3-hydroxy-5-[(1R,9S,10S)-3-hydroxy-4,12-dimethoxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraen-5-yl]-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraen-13-one

Formula: C38H44N2O8  |  Mol. Weight: 656.80 g/mol

IUPAC: (1S,9S,10S)-3-hydroxy-5-[(1R,9S,10S)-3-hydroxy-4,12-dimethoxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraen-5-yl]-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraen-13-one

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Overview

Molecular Formula C38H44N2O8
Molecular Weight 656.80 g/mol
Canonical SMILES CN1CCC23CC(=O)C(=CC2C1CC4=CC(=C(C(=C34)O)OC)C5=C(C(=C6C(=C5)CC7C8C6(CCN7C)CC(=O)C(=C8)OC)O)OC)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy