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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007983

methyl (2S)-2-acetyloxy-2-[(1S,2R,5R,6R,10R,11S,12R,13R,14R,17S,18S)-12,14,17-triacetyloxy-6-(furan-3-yl)-11-hydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.02,11.05,10.013,17]octadecan-18-yl]acetate

Formula: C35H44O14  |  Mol. Weight: 688.70 g/mol

IUPAC: methyl (2S)-2-acetyloxy-2-[(1S,2R,5R,6R,10R,11S,12R,13R,14R,17S,18S)-12,14,17-triacetyloxy-6-(furan-3-yl)-11-hydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.02,11.05,10.013,17]octadecan-18-yl]acetate

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Overview

Molecular Formula C35H44O14
Molecular Weight 688.70 g/mol
Canonical SMILES CC(=O)OC1C2C(C3(C(CCC4(C3CC(=O)OC4C5=COC=C5)C)C6(C2(CC1(C6C(C(=O)OC)OC(=O)C)C)OC(=O)C)C)O)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy