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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003256

[(1S)-2-[(1S,2S,4R,4aR,5S,8aR)-4,8-diacetyloxy-4a-(acetyloxymethyl)-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] 2-methylbutanoate

Formula: C31H44O11  |  Mol. Weight: 592.70 g/mol

IUPAC: [(1S)-2-[(1S,2S,4R,4aR,5S,8aR)-4,8-diacetyloxy-4a-(acetyloxymethyl)-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] 2-methylbutanoate

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Overview

Molecular Formula C31H44O11
Molecular Weight 592.70 g/mol
Canonical SMILES CCC(C)C(=O)OC(CC1(C(CC(C2(C1C(CCC23CO3)OC(=O)C)COC(=O)C)OC(=O)C)C)C)C4=CC(=O)OC4

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy