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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003704

3-[(3R)-3-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxybutyl]-2,4,4-trimethylcyclohex-2-en-1-one

Formula: C24H40O11  |  Mol. Weight: 504.60 g/mol

IUPAC: 3-[(3R)-3-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxybutyl]-2,4,4-trimethylcyclohex-2-en-1-one

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Overview

Molecular Formula C24H40O11
Molecular Weight 504.60 g/mol
Canonical SMILES CC1=C(C(CCC1=O)(C)C)CCC(C)OC2C(C(C(C(O2)COC3C(C(C(O3)CO)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy