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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005572

[(1R,4R,5R,7S,8R,9R,10R,11S,12R)-10-[(3R,5S)-5-acetyloxy-3-(furan-3-yl)-2-methylcyclopenten-1-yl]-9-(2-methoxy-2-oxoethyl)-4,8,10-trimethyl-7,11-bis[[(E)-2-methylbut-2-enoyl]oxy]-2-oxatricyclo[6.3.1.04,12]dodecan-5-yl] (E)-2-methylbut-2-enoate

Formula: C44H58O12  |  Mol. Weight: 778.90 g/mol

IUPAC: [(1R,4R,5R,7S,8R,9R,10R,11S,12R)-10-[(3R,5S)-5-acetyloxy-3-(furan-3-yl)-2-methylcyclopenten-1-yl]-9-(2-methoxy-2-oxoethyl)-4,8,10-trimethyl-7,11-bis[[(E)-2-methylbut-2-enoyl]oxy]-2-oxatricyclo[6.3.1.04,12]dodecan-5-yl] (E)-2-methylbut-2-enoate

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Overview

Molecular Formula C44H58O12
Molecular Weight 778.90 g/mol
Canonical SMILES CC=C(C)C(=O)OC1CC(C2(C(C(C(C3C2C1(CO3)C)OC(=O)C(=CC)C)(C)C4=C(C(CC4OC(=O)C)C5=COC=C5)C)CC(=O)OC)C)OC(=O)C(=CC)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy