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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009930

[(1S,3R)-3-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaenoyl]-3,4,4-trimethylcyclopentyl] tetradecanoate

Formula: C54H82O4  |  Mol. Weight: 795.20 g/mol

IUPAC: [(1S,3R)-3-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaenoyl]-3,4,4-trimethylcyclopentyl] tetradecanoate

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Overview

Molecular Formula C54H82O4
Molecular Weight 795.20 g/mol
Canonical SMILES CCCCCCCCCCCCCC(=O)OC1CC(C(C1)(C)C(=O)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C)(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy