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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019838

[(2S,4R,4aR,5S,7R,8S,8aR)-8-[(2S,3aS,5R,6aR)-5-hydroxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-2-yl]-5-acetyloxy-4a-(acetyloxymethyl)-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-2-yl] (2R)-2-methylbutanoate

Formula: C29H44O10  |  Mol. Weight: 552.70 g/mol

IUPAC: [(2S,4R,4aR,5S,7R,8S,8aR)-8-[(2S,3aS,5R,6aR)-5-hydroxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-2-yl]-5-acetyloxy-4a-(acetyloxymethyl)-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-2-yl] (2R)-2-methylbutanoate

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Overview

Molecular Formula C29H44O10
Molecular Weight 552.70 g/mol
Canonical SMILES CCC(C)C(=O)OC1CC2C(C(CC(C2(C3(C1)CO3)COC(=O)C)OC(=O)C)C)(C)C4CC5CC(OC5O4)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy