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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003939

[(4aS,5R,6S,8aR,9aS)-9a-[(4aS,5R,6S,8aR,9aS)-3,4a,5-trimethyl-6-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-9a-yl]-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-6-yl] (Z)-2-methylbut-2-enoate

Formula: C40H54O8  |  Mol. Weight: 662.80 g/mol

IUPAC: [(4aS,5R,6S,8aR,9aS)-9a-[(4aS,5R,6S,8aR,9aS)-3,4a,5-trimethyl-6-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-9a-yl]-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-6-yl] (Z)-2-methylbut-2-enoate

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Overview

Molecular Formula C40H54O8
Molecular Weight 662.80 g/mol
Canonical SMILES CC=C(C)C(=O)OC1CCC2CC3(C(=C(C(=O)O3)C)CC2(C1C)C)C45CC6CCC(C(C6(CC4=C(C(=O)O5)C)C)C)OC(=O)C(=CC)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy