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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031617

(1S,2R,6S,7R,9R,11S,12S,15S,16S)-15-[(1R)-1-[(1S,4R,6S)-1,6-dimethyl-2-oxo-3,7-dioxabicyclo[4.1.0]heptan-4-yl]-1-hydroxyethyl]-6-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one

Formula: C28H38O7  |  Mol. Weight: 486.60 g/mol

IUPAC: (1S,2R,6S,7R,9R,11S,12S,15S,16S)-15-[(1R)-1-[(1S,4R,6S)-1,6-dimethyl-2-oxo-3,7-dioxabicyclo[4.1.0]heptan-4-yl]-1-hydroxyethyl]-6-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one

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Overview

Molecular Formula C28H38O7
Molecular Weight 486.60 g/mol
Canonical SMILES CC12CCC3C(C1CCC2C(C)(C4CC5(C(O5)(C(=O)O4)C)C)O)CC6C7(C3(C(=O)C=CC7O)C)O6

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy