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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000728

[(3S,5R)-5-[(1S)-1-[(1S,3R,6S,8R,11S,12S,14S,15R,16R)-14-hydroxy-7,7,12,16-tetramethyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]ethyl]-2,2-dimethyloxolan-3-yl] acetate

Formula: C38H62O10  |  Mol. Weight: 678.90 g/mol

IUPAC: [(3S,5R)-5-[(1S)-1-[(1S,3R,6S,8R,11S,12S,14S,15R,16R)-14-hydroxy-7,7,12,16-tetramethyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]ethyl]-2,2-dimethyloxolan-3-yl] acetate

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Overview

Molecular Formula C38H62O10
Molecular Weight 678.90 g/mol
Canonical SMILES CC(C1CC(C(O1)(C)C)OC(=O)C)C2C(CC3(C2(CCC45C3CCC6C4(C5)CCC(C6(C)C)OC7C(C(C(C(O7)CO)O)O)O)C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy