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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001939

(1S,2R,5R,7S,9R,11S,12S,15R,16S)-5-methoxy-2,16-dimethyl-15-[(1R,4R,5R)-1-methyl-8-methylidene-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one

Formula: C29H40O6  |  Mol. Weight: 484.60 g/mol

IUPAC: (1S,2R,5R,7S,9R,11S,12S,15R,16S)-5-methoxy-2,16-dimethyl-15-[(1R,4R,5R)-1-methyl-8-methylidene-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one

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Overview

Molecular Formula C29H40O6
Molecular Weight 484.60 g/mol
Canonical SMILES CC12CCC3C(C1CCC2C4COC5(CC4OC(=O)C5=C)C)CC6C7(C3(C(=O)CC(C7)OC)C)O6

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy