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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001016

[(1S,3E,4R)-3-[2-[(1R,3aS,4R,7aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-7a-methyl-1,2,3,3a,4,7-hexahydroinden-4-yl]ethylidene]-4-methylcyclohexyl] 7,16-dihydroxytetracosanoate

Formula: C53H96O4  |  Mol. Weight: 797.30 g/mol

IUPAC: [(1S,3E,4R)-3-[2-[(1R,3aS,4R,7aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-7a-methyl-1,2,3,3a,4,7-hexahydroinden-4-yl]ethylidene]-4-methylcyclohexyl] 7,16-dihydroxytetracosanoate

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Overview

Molecular Formula C53H96O4
Molecular Weight 797.30 g/mol
Canonical SMILES CCCCCCCCC(CCCCCCCCC(CCCCCC(=O)OC1CCC(C(=CCC2C=CCC3(C2CCC3C(C)CCC(CC)C(C)C)C)C1)C)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy