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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP022766

[(4aR,7R,7aR)-6-acetyloxy-4a-hydroxy-1-(3-methylbutanoyloxy)spiro[1,5,6,7a-tetrahydrocyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methyl-2-(3-methylbutanoyloxy)butanoate

Formula: C27H40O11  |  Mol. Weight: 540.60 g/mol

IUPAC: [(4aR,7R,7aR)-6-acetyloxy-4a-hydroxy-1-(3-methylbutanoyloxy)spiro[1,5,6,7a-tetrahydrocyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methyl-2-(3-methylbutanoyloxy)butanoate

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Overview

Molecular Formula C27H40O11
Molecular Weight 540.60 g/mol
Canonical SMILES CC(C)CC(=O)OC1C2C(CC(C23CO3)OC(=O)C)(C(=CO1)COC(=O)C(C(C)C)OC(=O)CC(C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy