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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005134

[(1S,2R,6S,7R,9R,11S,12S,14R,15R,16R)-14-acetyloxy-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6-hydroxy-2-methyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-16-yl]methyl acetate

Formula: C32H42O9  |  Mol. Weight: 570.70 g/mol

IUPAC: [(1S,2R,6S,7R,9R,11S,12S,14R,15R,16R)-14-acetyloxy-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6-hydroxy-2-methyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-16-yl]methyl acetate

Overview

Molecular Formula C32H42O9
Molecular Weight 570.70 g/mol
Canonical SMILES CC1=C(C(=O)OC(C1)C(C)C2C(CC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)COC(=O)C)OC(=O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy