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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP037290

[(1S,2R,5R,7S,9R,11R,12R,13S,16R)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-12-hydroxy-5-methoxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-14-en-13-yl] acetate

Formula: C31H42O8  |  Mol. Weight: 542.70 g/mol

IUPAC: [(1S,2R,5R,7S,9R,11R,12R,13S,16R)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-12-hydroxy-5-methoxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-14-en-13-yl] acetate

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Overview

Molecular Formula C31H42O8
Molecular Weight 542.70 g/mol
Canonical SMILES CC1=C(C(=O)OC(C1)C(C)C2=CC(C3(C2(CCC4C3CC5C6(C4(C(=O)CC(C6)OC)C)O5)C)O)OC(=O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy