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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008089

[(1S,2R,6S,7R,9R,11R,12S,13S,15R,16R)-6-hydroxy-15-[(1S)-1-[(1S,2R,4R,6S)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-13-yl] acetate

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

IUPAC: [(1S,2R,6S,7R,9R,11R,12S,13S,15R,16R)-6-hydroxy-15-[(1S)-1-[(1S,2R,4R,6S)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-13-yl] acetate

Overview

Molecular Formula C30H42O8
Molecular Weight 530.60 g/mol
Canonical SMILES CC(C1CC(C2C1(CCC3C2CC4C5(C3(C(=O)C=CC5O)C)O4)C)OC(=O)C)C6CC7(C(O7)(C(O6)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy