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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007791

[(1S,2S,4S,7R,9R,11S,13R,14S,15R,16S,17R)-15-acetyloxy-16-(1,3-benzodioxole-5-carbonyl)-14-hydroxy-2,14,17-trimethyl-3-oxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-4-yl] acetate

Formula: C37H48O16  |  Mol. Weight: 748.80 g/mol

IUPAC: [(1S,2S,4S,7R,9R,11S,13R,14S,15R,16S,17R)-15-acetyloxy-16-(1,3-benzodioxole-5-carbonyl)-14-hydroxy-2,14,17-trimethyl-3-oxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-4-yl] acetate

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Overview

Molecular Formula C37H48O16
Molecular Weight 748.80 g/mol
Canonical SMILES CC(=O)OC1CCC2CC3C4(C(CC(O3)OC5C(C(C(C(O5)CO)O)O)O)C(C(C(C4C2(C1=O)C)C(=O)C6=CC7=C(C=C6)OCO7)OC(=O)C)(C)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy