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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003937

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

Formula: C40H50O8  |  Mol. Weight: 658.80 g/mol

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

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Overview

Molecular Formula C40H50O8
Molecular Weight 658.80 g/mol
Canonical SMILES CC=C(C)C(=O)OC1CCC2=CC3(C(=C(C(=O)O3)C)CC2(C1C)C)C45C=C6CCC(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