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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007019

[(1S,2S,4R,5S,6S,9S,10S,11R,13R,14S,15S,18S,20R)-20-acetyloxy-6-(furan-3-yl)-4,11,18-trihydroxy-5,10,14-trimethyl-3,8-dioxo-16-oxapentacyclo[12.3.3.01,13.02,10.05,9]icosan-15-yl] 2-methylbutanoate

Formula: C33H44O11  |  Mol. Weight: 616.70 g/mol

IUPAC: [(1S,2S,4R,5S,6S,9S,10S,11R,13R,14S,15S,18S,20R)-20-acetyloxy-6-(furan-3-yl)-4,11,18-trihydroxy-5,10,14-trimethyl-3,8-dioxo-16-oxapentacyclo[12.3.3.01,13.02,10.05,9]icosan-15-yl] 2-methylbutanoate

Overview

Molecular Formula C33H44O11
Molecular Weight 616.70 g/mol
Canonical SMILES CCC(C)C(=O)OC1C2(C3CC(C4(C5C(=O)CC(C5(C(C(=O)C4C3(CO1)C(CC2OC(=O)C)O)O)C)C6=COC=C6)C)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy