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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP017951

[(1aR,3aR,4S,5S,7S,7aS,7bS)-4-[(1S)-1-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-5-hydroxy-4,5,7a,7b-tetramethyl-1a,2,3,3a,6,7-hexahydronaphtho[1,2-b]oxiren-7-yl] benzoate

Formula: C29H36O8  |  Mol. Weight: 512.60 g/mol

IUPAC: [(1aR,3aR,4S,5S,7S,7aS,7bS)-4-[(1S)-1-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-5-hydroxy-4,5,7a,7b-tetramethyl-1a,2,3,3a,6,7-hexahydronaphtho[1,2-b]oxiren-7-yl] benzoate

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Overview

Molecular Formula C29H36O8
Molecular Weight 512.60 g/mol
Canonical SMILES CC(=O)OC(CC1=CC(=O)OC1)C2(C3CCC4C(C3(C(CC2(C)O)OC(=O)C5=CC=CC=C5)C)(O4)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy