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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP015673

[(1S,2R,4S,5R,9R,10R,13R,14S,15S,17S)-15-[(1S)-1-acetyloxy-2-methoxy-2-oxoethyl]-9-(furan-3-yl)-1-hydroxy-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4.04,13.05,10]octadecan-17-yl] (E)-2-methylbut-2-enoate

Formula: C34H42O12  |  Mol. Weight: 642.70 g/mol

IUPAC: [(1S,2R,4S,5R,9R,10R,13R,14S,15S,17S)-15-[(1S)-1-acetyloxy-2-methoxy-2-oxoethyl]-9-(furan-3-yl)-1-hydroxy-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4.04,13.05,10]octadecan-17-yl] (E)-2-methylbut-2-enoate

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Overview

Molecular Formula C34H42O12
Molecular Weight 642.70 g/mol
Canonical SMILES CC=C(C)C(=O)OC1C(C(C2(C3CCC4(C(C35C(C1(C2=O)O)O5)CC(=O)OC4C6=COC=C6)C)C)C(C(=O)OC)OC(=O)C)(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy