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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007931

[(1S,2R,3S,4S,8S,10R,12R,13S,15S,16S)-15-acetyloxy-4-(acetyloxymethyl)-13-(furan-3-yl)-16-hydroxy-3-(2-methoxy-2-oxoethyl)-2,4,12-trimethyl-17-methylidene-6-oxo-5,9-dioxatetracyclo[8.7.0.02,8.012,16]heptadecan-11-yl] 3-methylbutanoate

Formula: C36H48O13  |  Mol. Weight: 688.80 g/mol

IUPAC: [(1S,2R,3S,4S,8S,10R,12R,13S,15S,16S)-15-acetyloxy-4-(acetyloxymethyl)-13-(furan-3-yl)-16-hydroxy-3-(2-methoxy-2-oxoethyl)-2,4,12-trimethyl-17-methylidene-6-oxo-5,9-dioxatetracyclo[8.7.0.02,8.012,16]heptadecan-11-yl] 3-methylbutanoate

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Overview

Molecular Formula C36H48O13
Molecular Weight 688.80 g/mol
Canonical SMILES CC(C)CC(=O)OC1C2C(C(=C)C3(C1(C(CC3OC(=O)C)C4=COC=C4)C)O)C5(C(O2)CC(=O)OC(C5CC(=O)OC)(C)COC(=O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy