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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP022443

[(1S,3R,5R,6aS,7R,8R,10aS)-1,3-diacetyloxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] butanoate

Formula: C28H40O7  |  Mol. Weight: 488.60 g/mol

IUPAC: [(1S,3R,5R,6aS,7R,8R,10aS)-1,3-diacetyloxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] butanoate

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Overview

Molecular Formula C28H40O7
Molecular Weight 488.60 g/mol
Canonical SMILES CCCC(=O)OC1CC2C(C(CCC23C(OC(C3=C1)OC(=O)C)OC(=O)C)C)(C)CCC(=C)C=C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy