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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP034656

[(1S,2S,6S,7S,9R,11S,13R,14S,16S,17R)-16-hydroxy-4-methoxy-2,6,14,17-tetramethyl-3,15-dioxo-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-14-yl] acetate

Formula: C29H42O13  |  Mol. Weight: 598.60 g/mol

IUPAC: [(1S,2S,6S,7S,9R,11S,13R,14S,16S,17R)-16-hydroxy-4-methoxy-2,6,14,17-tetramethyl-3,15-dioxo-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-14-yl] acetate

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Overview

Molecular Formula C29H42O13
Molecular Weight 598.60 g/mol
Canonical SMILES CC1C=C(C(=O)C2(C1CC3C4(C2C(C(=O)C(C4CC(O3)OC5C(C(C(C(O5)CO)O)O)O)(C)OC(=O)C)O)C)C)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy