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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009228

HeteroclitinJ

Formula: C31H30O11  |  Mol. Weight: 578.60 g/mol

IUPAC: [(1S,12R,13S,14S,15S)-12-acetyloxy-14-hydroxy-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,18-pentaen-15-yl] benzoate

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Overview

Molecular Formula C31H30O11
Molecular Weight 578.60 g/mol
Canonical SMILES CC1C(C2=CC3=C(C4=C2C5(CO4)C(=CC(=C(C5=O)OC)OC)C(C1(C)O)OC(=O)C6=CC=CC=C6)OCO3)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy