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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP018179

methyl (2R)-2-acetyloxy-2-[(1R,2S,4S,5S,6S,10R,11R,12R,13R,14R,15R,17S,18S)-12,14-diacetyloxy-6-(furan-3-yl)-2,4,11,17-tetrahydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.02,11.05,10.013,17]octadecan-18-yl]acetate

Formula: C33H42O15  |  Mol. Weight: 678.70 g/mol

IUPAC: methyl (2R)-2-acetyloxy-2-[(1R,2S,4S,5S,6S,10R,11R,12R,13R,14R,15R,17S,18S)-12,14-diacetyloxy-6-(furan-3-yl)-2,4,11,17-tetrahydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.02,11.05,10.013,17]octadecan-18-yl]acetate

Overview

Molecular Formula C33H42O15
Molecular Weight 678.70 g/mol
Canonical SMILES CC(=O)OC1C2C(C3(C4CC(=O)OC(C4(C(CC3(C5(C2(CC1(C5C(C(=O)OC)OC(=O)C)C)O)C)O)O)C)C6=COC=C6)O)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy