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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007665

[(1S,2S,3aR,4R,4aS,5S,7aR,8R,8aR)-4,8-diacetyloxy-3a-hydroxy-2,4a,7a-trimethyl-5-(2-methylprop-2-enyl)-6-oxo-1,2,3,4,5,7,8,8a-octahydro-s-indacen-1-yl] benzoate

Formula: C30H38O8  |  Mol. Weight: 526.60 g/mol

IUPAC: [(1S,2S,3aR,4R,4aS,5S,7aR,8R,8aR)-4,8-diacetyloxy-3a-hydroxy-2,4a,7a-trimethyl-5-(2-methylprop-2-enyl)-6-oxo-1,2,3,4,5,7,8,8a-octahydro-s-indacen-1-yl] benzoate

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Overview

Molecular Formula C30H38O8
Molecular Weight 526.60 g/mol
Canonical SMILES CC1CC2(C(C1OC(=O)C3=CC=CC=C3)C(C4(CC(=O)C(C4(C2OC(=O)C)C)CC(=C)C)C)OC(=O)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy