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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009561

methyl 2-[(1R,5R,6S,7S,9S,10S,11R,12R,13R,14R,15R,21S,25S)-21-acetyl-6,7,13,15-tetraacetyloxy-10-(acetyloxymethyl)-12-hydroxy-3,8,14-trimethyl-22-oxo-2,4,19,23,26-pentaoxanonacyclo[12.10.1.13,11.15,8.01,11.05,10.06,24.016,20.021,25]heptacosa-16(20),17-dien-9-yl]acetate

Formula: C41H46O20  |  Mol. Weight: 858.80 g/mol

IUPAC: methyl 2-[(1R,5R,6S,7S,9S,10S,11R,12R,13R,14R,15R,21S,25S)-21-acetyl-6,7,13,15-tetraacetyloxy-10-(acetyloxymethyl)-12-hydroxy-3,8,14-trimethyl-22-oxo-2,4,19,23,26-pentaoxanonacyclo[12.10.1.13,11.15,8.01,11.05,10.06,24.016,20.021,25]heptacosa-16(20),17-dien-9-yl]acetate

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Overview

Molecular Formula C41H46O20
Molecular Weight 858.80 g/mol
Canonical SMILES CC(=O)C12C3C(C(C(C45C36C(C7(C(C8(CC7(C4(C8CC(=O)OC)COC(=O)C)OC(O5)(O6)C)C)OC(=O)C)OC(=O)C)OC1=O)O)OC(=O)C)(C(C9=C2OC=C9)OC(=O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy