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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005100

3-[(1R,2S,3S,6E)-3-hydroxy-2-[(3E,7E)-5-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-2,3-dimethyl-6-(1-oxopropan-2-ylidene)cyclohexyl]propyl octadecanoate

Formula: C48H84O5  |  Mol. Weight: 741.20 g/mol

IUPAC: 3-[(1R,2S,3S,6E)-3-hydroxy-2-[(3E,7E)-5-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-2,3-dimethyl-6-(1-oxopropan-2-ylidene)cyclohexyl]propyl octadecanoate

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Overview

Molecular Formula C48H84O5
Molecular Weight 741.20 g/mol
Canonical SMILES CCCCCCCCCCCCCCCCCC(=O)OCCCC1C(=C(C)C=O)CCC(C1(C)CCC=C(C)C(CC=C(C)CCC=C(C)C)O)(C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy