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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025764

(E,6R)-2-methyl-6-[(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-6-[(Z)-octadec-13-enoyl]oxy-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]hept-2-enoic acid

Formula: C48H80O4  |  Mol. Weight: 721.10 g/mol

IUPAC: (E,6R)-2-methyl-6-[(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-6-[(Z)-octadec-13-enoyl]oxy-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]hept-2-enoic acid

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Overview

Molecular Formula C48H80O4
Molecular Weight 721.10 g/mol
Canonical SMILES CCCCC=CCCCCCCCCCCCC(=O)OC1CCC23CC24CCC5(C(CCC5(C4CCC3C1(C)C)C)C(C)CCC=C(C)C(=O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy