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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP034549

[(1R,3R,4R,5R,7S,8S,9R,10E,12S,13S,14S)-4-acetyloxy-9-hydroxy-3,6,6,10,14-pentamethyl-8-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-13-yl] benzoate

Formula: C34H42O9  |  Mol. Weight: 594.70 g/mol

IUPAC: [(1R,3R,4R,5R,7S,8S,9R,10E,12S,13S,14S)-4-acetyloxy-9-hydroxy-3,6,6,10,14-pentamethyl-8-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-13-yl] benzoate

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Overview

Molecular Formula C34H42O9
Molecular Weight 594.70 g/mol
Canonical SMILES CC=C(C)C(=O)OC1C2C(C2(C)C)C(C(C(=O)C34CC(C(C3(O4)C=C(C1O)C)OC(=O)C5=CC=CC=C5)C)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy