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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011554

[(1S,2S,4S,5R,10R,11S,14S,15R,16R,18S)-5-hydroxy-15-[(1S)-1-[(1S,2R,4S,6S)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-10,14-dimethyl-9-oxo-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-16-yl] acetate

Formula: C30H42O8  |  Mol. Weight: 530.60 g/mol

IUPAC: [(1S,2S,4S,5R,10R,11S,14S,15R,16R,18S)-5-hydroxy-15-[(1S)-1-[(1S,2R,4S,6S)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-10,14-dimethyl-9-oxo-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-16-yl] acetate

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Overview

Molecular Formula C30H42O8
Molecular Weight 530.60 g/mol
Canonical SMILES CC(C1CC2(C(O2)(C(O1)O)C)C)C3C(CC4C3(CCC5C4C6C(O6)C7(C5(C(=O)C=CC7)C)O)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy