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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP034504

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

Formula: C38H46O12  |  Mol. Weight: 694.80 g/mol

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

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Overview

Molecular Formula C38H46O12
Molecular Weight 694.80 g/mol
Canonical SMILES CCC(=O)OC(C1C2(CC3C1(C4CCC5(C(OC(=O)C=C5C4=CC(C2OC(=O)C(=CC)C)(O3)OC(=O)CC)C6=COC=C6)C)C)C)C(=O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy