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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031470

[(1R,3bR,4R,5aR,10aR,10bR,11R,12aS)-4-hydroxy-1-[(2R)-2-[(1S)-1-hydroxy-2-methoxy-2-methylpropyl]-5-oxo-2H-furan-4-yl]-3b,6,6,10a,12a-pentamethyl-8-oxo-1,2,4,5,5a,10b,11,12-octahydroindeno[5,4-g][2]benzoxepin-11-yl] (E)-2-methylbut-2-enoate

Formula: C36H50O9  |  Mol. Weight: 626.80 g/mol

IUPAC: [(1R,3bR,4R,5aR,10aR,10bR,11R,12aS)-4-hydroxy-1-[(2R)-2-[(1S)-1-hydroxy-2-methoxy-2-methylpropyl]-5-oxo-2H-furan-4-yl]-3b,6,6,10a,12a-pentamethyl-8-oxo-1,2,4,5,5a,10b,11,12-octahydroindeno[5,4-g][2]benzoxepin-11-yl] (E)-2-methylbut-2-enoate

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Overview

Molecular Formula C36H50O9
Molecular Weight 626.80 g/mol
Canonical SMILES CC=C(C)C(=O)OC1CC2(C(CC=C2C3(C1C4(C=CC(=O)OC(C4CC3O)(C)C)C)C)C5=CC(OC5=O)C(C(C)(C)OC)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy