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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003597

[(1S,2S,7R,9R,11S,13R,14S,15R,16S,17R)-14,16-dihydroxy-4-methoxy-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]heptadec-4-en-15-yl] acetate

Formula: C28H42O13  |  Mol. Weight: 586.60 g/mol

IUPAC: [(1S,2S,7R,9R,11S,13R,14S,15R,16S,17R)-14,16-dihydroxy-4-methoxy-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]heptadec-4-en-15-yl] acetate

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Overview

Molecular Formula C28H42O13
Molecular Weight 586.60 g/mol
Canonical SMILES CC(=O)OC1C(C2C3(C(CC=C(C3=O)OC)CC4C2(C(C1(C)O)CC(O4)OC5C(C(C(C(O5)CO)O)O)O)C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy