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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP020078

methyl 2-[(1S,3R,4R,5S,7S,8R,10R,11S,12S,13R)-4,5,11-triacetyloxy-13-[(2S)-2-hydroxy-5-oxo-2H-furan-4-yl]-6,6,8,12-tetramethyl-17-methylidene-9,15-dioxo-2,14-dioxatetracyclo[8.6.1.01,12.03,8]heptadecan-7-yl]acetate

Formula: C33H40O15  |  Mol. Weight: 676.70 g/mol

IUPAC: methyl 2-[(1S,3R,4R,5S,7S,8R,10R,11S,12S,13R)-4,5,11-triacetyloxy-13-[(2S)-2-hydroxy-5-oxo-2H-furan-4-yl]-6,6,8,12-tetramethyl-17-methylidene-9,15-dioxo-2,14-dioxatetracyclo[8.6.1.01,12.03,8]heptadecan-7-yl]acetate

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Overview

Molecular Formula C33H40O15
Molecular Weight 676.70 g/mol
Canonical SMILES CC(=O)OC1C2C(C(C(C1OC(=O)C)(C)C)CC(=O)OC)(C(=O)C3C(C4(C(OC(=O)CC4(C3=C)O2)C5=CC(OC5=O)O)C)OC(=O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy