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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019965

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

Formula: C31H38O7  |  Mol. Weight: 522.60 g/mol

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

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Overview

Molecular Formula C31H38O7
Molecular Weight 522.60 g/mol
Canonical SMILES CC1=CCCC2C1(C(C(C(C2(C)C=CC3=CC(=O)OC3)(C)O)OC(=O)C(C)C)OC(=O)C4=CC=CC=C4)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy