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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009814

[(1R,2S,3S,4S,6R,7S,10S,11R,16R,17R)-6-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16,17-trihydroxy-7,11-dimethyl-12-oxo-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-13-en-3-yl] acetate

Formula: C30H40O9  |  Mol. Weight: 544.60 g/mol

IUPAC: [(1R,2S,3S,4S,6R,7S,10S,11R,16R,17R)-6-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16,17-trihydroxy-7,11-dimethyl-12-oxo-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-13-en-3-yl] acetate

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Overview

Molecular Formula C30H40O9
Molecular Weight 544.60 g/mol
Canonical SMILES CC1=C(C(=O)OC(C1)C(C)C23C(O2)C(C4(C3(CCC5C4CC(C6(C5(C(=O)C=CC6)C)O)O)C)O)OC(=O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy