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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003753

methyl (1S,2R,3S,4R,5R,6S,8R,11R,12R,15S,16S,21R,22R,23R,24S)-3,4,23,24-tetraacetyloxy-22-(acetyloxymethyl)-11-hydroxy-2,5,15,21-tetramethyl-9,19-dimethylidene-7,20-dioxahexacyclo[13.9.0.02,12.05,11.06,8.016,22]tetracos-17-ene-6-carboxylate

Formula: C41H54O15  |  Mol. Weight: 786.90 g/mol

IUPAC: methyl (1S,2R,3S,4R,5R,6S,8R,11R,12R,15S,16S,21R,22R,23R,24S)-3,4,23,24-tetraacetyloxy-22-(acetyloxymethyl)-11-hydroxy-2,5,15,21-tetramethyl-9,19-dimethylidene-7,20-dioxahexacyclo[13.9.0.02,12.05,11.06,8.016,22]tetracos-17-ene-6-carboxylate

Overview

Molecular Formula C41H54O15
Molecular Weight 786.90 g/mol
Canonical SMILES CC1C2(C(C=CC(=C)O1)C3(CCC4C(C3C(C2OC(=O)C)OC(=O)C)(C(C(C5(C4(CC(=C)C6C5(O6)C(=O)OC)O)C)OC(=O)C)OC(=O)C)C)C)COC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy