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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031380

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

Formula: C33H46O9  |  Mol. Weight: 586.70 g/mol

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

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Overview

Molecular Formula C33H46O9
Molecular Weight 586.70 g/mol
Canonical SMILES CC(=O)OC1CC2C(OC(=O)C=CC2(C3C1(C4C(=O)CC(C4(CC3)C)C5=CC(OC5=O)C(C(C)(C)OC)O)C)C)(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy