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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004975

[(1R,4S,4aS,5S,7R,8aR)-4-[(1R)-1-acetyloxyethyl]-1-(2-methylbutanoyloxy)-8-methylidene-3-oxo-5-propan-2-yl-4,4a,5,6,7,8a-hexahydro-1H-isochromen-7-yl] (E)-3-methylpent-2-enoate

Formula: C28H42O8  |  Mol. Weight: 506.60 g/mol

IUPAC: [(1R,4S,4aS,5S,7R,8aR)-4-[(1R)-1-acetyloxyethyl]-1-(2-methylbutanoyloxy)-8-methylidene-3-oxo-5-propan-2-yl-4,4a,5,6,7,8a-hexahydro-1H-isochromen-7-yl] (E)-3-methylpent-2-enoate

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Overview

Molecular Formula C28H42O8
Molecular Weight 506.60 g/mol
Canonical SMILES CCC(C)C(=O)OC1C2C(C(CC(C2=C)OC(=O)C=C(C)CC)C(C)C)C(C(=O)O1)C(C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy