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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP018426

[(1S,2R,6R,7R,10R,11S,12S,14S,15S,16R,18R)-14-acetyloxy-6-(furan-3-yl)-15,16-dihydroxy-12-(2-methoxy-2-oxoethyl)-7,11,13,13-tetramethyl-4-oxo-5,17-dioxapentacyclo[13.2.1.01,10.02,7.011,16]octadecan-18-yl] 2-methylpropanoate

Formula: C33H44O12  |  Mol. Weight: 632.70 g/mol

IUPAC: [(1S,2R,6R,7R,10R,11S,12S,14S,15S,16R,18R)-14-acetyloxy-6-(furan-3-yl)-15,16-dihydroxy-12-(2-methoxy-2-oxoethyl)-7,11,13,13-tetramethyl-4-oxo-5,17-dioxapentacyclo[13.2.1.01,10.02,7.011,16]octadecan-18-yl] 2-methylpropanoate

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Overview

Molecular Formula C33H44O12
Molecular Weight 632.70 g/mol
Canonical SMILES CC(C)C(=O)OC1C23C(CCC4(C2CC(=O)OC4C5=COC=C5)C)C6(C(C(C(C1(C6(O3)O)O)OC(=O)C)(C)C)CC(=O)OC)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy