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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013956

[(1S,2S,3R,4S,5S,7S,9R,10R,12R,15S,16S,17S)-4,9-diacetyloxy-3-benzoyloxy-5,10,15-trihydroxy-2,6,6,12-tetramethyl-11,13-dioxatetracyclo[8.7.0.02,7.012,16]heptadecan-17-yl] benzoate

Formula: C37H44O13  |  Mol. Weight: 696.70 g/mol

IUPAC: [(1S,2S,3R,4S,5S,7S,9R,10R,12R,15S,16S,17S)-4,9-diacetyloxy-3-benzoyloxy-5,10,15-trihydroxy-2,6,6,12-tetramethyl-11,13-dioxatetracyclo[8.7.0.02,7.012,16]heptadecan-17-yl] benzoate

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Overview

Molecular Formula C37H44O13
Molecular Weight 696.70 g/mol
Canonical SMILES CC(=O)OC1CC2C(C(C(C(C2(C3C1(OC4(C(C3OC(=O)C5=CC=CC=C5)C(CO4)O)C)O)C)OC(=O)C6=CC=CC=C6)OC(=O)C)O)(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy