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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012174

Premyrsinol-3-propanoate-5-benzoate-7,13,17-triacetate

Formula: C36H46O12  |  Mol. Weight: 670.70 g/mol

IUPAC: [(1R,2R,3R,4S,5S,7R,9S,10R,11S,13S,15R)-9,15-diacetyloxy-1-(acetyloxymethyl)-7-hydroxy-5,9,12,12-tetramethyl-8-oxo-4-propanoyloxy-2-tetracyclo[8.5.0.03,7.011,13]pentadecanyl] benzoate

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Overview

Molecular Formula C36H46O12
Molecular Weight 670.70 g/mol
Canonical SMILES CCC(=O)OC1C(CC2(C1C(C3(C(CC4C(C3C(C2=O)(C)OC(=O)C)C4(C)C)OC(=O)C)COC(=O)C)OC(=O)C5=CC=CC=C5)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy