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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026118

[(1S,2S,3aR,4R,4aS,4bS,8aS,9aR,10R,10aR)-4,8a,10-triacetyloxy-9a-(acetyloxymethyl)-3a-hydroxy-2,4a,6-trimethyl-8-oxo-2,3,4,4b,5,9,10,10a-octahydro-1H-cyclopenta[b]fluoren-1-yl] benzoate

Formula: C35H42O12  |  Mol. Weight: 654.70 g/mol

IUPAC: [(1S,2S,3aR,4R,4aS,4bS,8aS,9aR,10R,10aR)-4,8a,10-triacetyloxy-9a-(acetyloxymethyl)-3a-hydroxy-2,4a,6-trimethyl-8-oxo-2,3,4,4b,5,9,10,10a-octahydro-1H-cyclopenta[b]fluoren-1-yl] benzoate

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Overview

Molecular Formula C35H42O12
Molecular Weight 654.70 g/mol
Canonical SMILES CC1CC2(C(C1OC(=O)C3=CC=CC=C3)C(C4(CC5(C(C4(C2OC(=O)C)C)CC(=CC5=O)C)OC(=O)C)COC(=O)C)OC(=O)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy