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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP029043

[(1S,3S,4R,4aS,8S,8aR)-3-hydroxy-3,4,8,8a-tetramethyl-7-oxo-4-[(E)-2-(5-oxo-2H-furan-3-yl)ethenyl]-1,2,4a,5,6,8-hexahydronaphthalen-1-yl] benzoate

Formula: C27H32O6  |  Mol. Weight: 452.50 g/mol

IUPAC: [(1S,3S,4R,4aS,8S,8aR)-3-hydroxy-3,4,8,8a-tetramethyl-7-oxo-4-[(E)-2-(5-oxo-2H-furan-3-yl)ethenyl]-1,2,4a,5,6,8-hexahydronaphthalen-1-yl] benzoate

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Overview

Molecular Formula C27H32O6
Molecular Weight 452.50 g/mol
Canonical SMILES CC1C(=O)CCC2C1(C(CC(C2(C)C=CC3=CC(=O)OC3)(C)O)OC(=O)C4=CC=CC=C4)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy