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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038644

[(1S,2S,4S,5S,6R,7S,9R,10S,11R,13R,14R,15S)-2,4,5,7,10,11-hexaacetyloxy-1-hydroxy-4,12,12,15-tetramethyl-8-methylidene-9-(2-methylpropoxy)-16-oxatricyclo[11.2.1.02,6]hexadecan-14-yl] acetate

Formula: C38H56O17  |  Mol. Weight: 784.80 g/mol

IUPAC: [(1S,2S,4S,5S,6R,7S,9R,10S,11R,13R,14R,15S)-2,4,5,7,10,11-hexaacetyloxy-1-hydroxy-4,12,12,15-tetramethyl-8-methylidene-9-(2-methylpropoxy)-16-oxatricyclo[11.2.1.02,6]hexadecan-14-yl] acetate

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Overview

Molecular Formula C38H56O17
Molecular Weight 784.80 g/mol
Canonical SMILES CC1C(C2C(C(C(C(C(=C)C(C3C(C(CC3(C1(O2)O)OC(=O)C)(C)OC(=O)C)OC(=O)C)OC(=O)C)OCC(C)C)OC(=O)C)OC(=O)C)(C)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy