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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP034531

[(1R)-1-[(1R,2R,3R,4S,7R,8R,15R,17S,19S)-8-(furan-3-yl)-1,3,7-trimethyl-19-[(E)-2-methylbut-2-enoyl]oxy-10-oxo-15-pentanoyloxy-9,16-dioxapentacyclo[13.3.1.03,17.04,13.07,12]nonadeca-11,13-dien-2-yl]-2-methoxy-2-oxoethyl] pentanoate

Formula: C42H54O12  |  Mol. Weight: 750.90 g/mol

IUPAC: [(1R)-1-[(1R,2R,3R,4S,7R,8R,15R,17S,19S)-8-(furan-3-yl)-1,3,7-trimethyl-19-[(E)-2-methylbut-2-enoyl]oxy-10-oxo-15-pentanoyloxy-9,16-dioxapentacyclo[13.3.1.03,17.04,13.07,12]nonadeca-11,13-dien-2-yl]-2-methoxy-2-oxoethyl] pentanoate

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Overview

Molecular Formula C42H54O12
Molecular Weight 750.90 g/mol
Canonical SMILES CCCCC(=O)OC(C1C2(CC3C1(C4CCC5(C(OC(=O)C=C5C4=CC(C2OC(=O)C(=CC)C)(O3)OC(=O)CCCC)C6=COC=C6)C)C)C)C(=O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy