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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038514

[(1S,4R,5R,9S,10S,12R,15S)-9,15-diacetyloxy-4-hydroxy-7,7,10,14-tetramethyl-11-oxo-16-oxapentacyclo[10.3.1.01,12.03,9.06,8]hexadec-2-en-5-yl] (E)-2-methylbut-2-enoate

Formula: C28H36O9  |  Mol. Weight: 516.60 g/mol

IUPAC: [(1S,4R,5R,9S,10S,12R,15S)-9,15-diacetyloxy-4-hydroxy-7,7,10,14-tetramethyl-11-oxo-16-oxapentacyclo[10.3.1.01,12.03,9.06,8]hexadec-2-en-5-yl] (E)-2-methylbut-2-enoate

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Overview

Molecular Formula C28H36O9
Molecular Weight 516.60 g/mol
Canonical SMILES CC=C(C)C(=O)OC1C2C(C2(C)C)C3(C(C(=O)C45CC(C(C4(O5)C=C3C1O)OC(=O)C)C)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy