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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005784

[(1S,3bR,4R,5aR,10aR,10bS,11R,12aS)-1-[(2S,3S,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-hydroxyoxolan-3-yl]-4-hydroxy-6,6,10a,12a-tetramethyl-8-oxo-2,3b,4,5,5a,10b,11,12-octahydro-1H-indeno[5,4-g][2]benzoxepin-11-yl] (2R)-2-methylbutanoate

Formula: C34H52O9  |  Mol. Weight: 604.80 g/mol

IUPAC: [(1S,3bR,4R,5aR,10aR,10bS,11R,12aS)-1-[(2S,3S,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-hydroxyoxolan-3-yl]-4-hydroxy-6,6,10a,12a-tetramethyl-8-oxo-2,3b,4,5,5a,10b,11,12-octahydro-1H-indeno[5,4-g][2]benzoxepin-11-yl] (2R)-2-methylbutanoate

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Overview

Molecular Formula C34H52O9
Molecular Weight 604.80 g/mol
Canonical SMILES CCC(C)C(=O)OC1CC2(C(CC=C2C3C1C4(C=CC(=O)OC(C4CC3O)(C)C)C)C5CC(OC5O)C(C(C)(C)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy