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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP037471

aglaroxin A 1-O-acetate

Formula: C31H31NO9  |  Mol. Weight: 561.60 g/mol

IUPAC: [(10S,11R,12R,13S,14R)-12-(dimethylcarbamoyl)-10-hydroxy-8-methoxy-14-(4-methoxyphenyl)-13-phenyl-4,6,15-trioxatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8-trien-11-yl] acetate

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Overview

Molecular Formula C31H31NO9
Molecular Weight 561.60 g/mol
Canonical SMILES CC(=O)OC1C(C(C2(C1(C3=C(C4=C(C=C3O2)OCO4)OC)O)C5=CC=C(C=C5)OC)C6=CC=CC=C6)C(=O)N(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy