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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004069

(1S,2R,7S,9R,10R,11S,12R,15S,16S)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-10,12,15-trihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one

Formula: C28H38O8  |  Mol. Weight: 502.60 g/mol

IUPAC: (1S,2R,7S,9R,10R,11S,12R,15S,16S)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-10,12,15-trihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one

Overview

Molecular Formula C28H38O8
Molecular Weight 502.60 g/mol
Canonical SMILES CC1=C(C(=O)OC(C1)C(C)(C2(CCC3(C2(CCC4C3C(C5C6(C4(C(=O)C=CC6)C)O5)O)C)O)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy