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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP034054

methyl (2S)-2-acetyloxy-2-[(1R,3R,4R,5R,10S,12R,14S,15R,16S,18S,19R,20S,22R)-3,22-diacetyloxy-5-(furan-3-yl)-15,16-dihydroxy-4,12,18,20-tetramethyl-7-oxo-6,11,13,21-tetraoxaheptacyclo[10.8.1.115,18.01,10.04,9.010,14.016,20]docos-8-en-19-yl]acetate

Formula: C35H40O16  |  Mol. Weight: 716.70 g/mol

IUPAC: methyl (2S)-2-acetyloxy-2-[(1R,3R,4R,5R,10S,12R,14S,15R,16S,18S,19R,20S,22R)-3,22-diacetyloxy-5-(furan-3-yl)-15,16-dihydroxy-4,12,18,20-tetramethyl-7-oxo-6,11,13,21-tetraoxaheptacyclo[10.8.1.115,18.01,10.04,9.010,14.016,20]docos-8-en-19-yl]acetate

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Overview

Molecular Formula C35H40O16
Molecular Weight 716.70 g/mol
Canonical SMILES CC(=O)OC1CC23C4(C(C5(CC4(C(C5OC(=O)C)(C6C2(C7=CC(=O)OC(C17C)C8=COC=C8)OC(O6)(O3)C)O)O)C)C(C(=O)OC)OC(=O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy