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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP020158

[(3S,4aR,5S,6R,6aR,10R,10bR)-10-benzoyloxy-4a,6a,7,10b-tetramethyl-2'-oxo-5-(pyridine-3-carbonyloxy)spiro[2,5,6,9,10,10a-hexahydro-1H-benzo[f]chromene-3,4'-oxolane]-6-yl] pyridine-3-carboxylate

Formula: C39H40N2O9  |  Mol. Weight: 680.70 g/mol

IUPAC: [(3S,4aR,5S,6R,6aR,10R,10bR)-10-benzoyloxy-4a,6a,7,10b-tetramethyl-2'-oxo-5-(pyridine-3-carbonyloxy)spiro[2,5,6,9,10,10a-hexahydro-1H-benzo[f]chromene-3,4'-oxolane]-6-yl] pyridine-3-carboxylate

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Overview

Molecular Formula C39H40N2O9
Molecular Weight 680.70 g/mol
Canonical SMILES CC1=CCC(C2C1(C(C(C3(C2(CCC4(O3)CC(=O)OC4)C)C)OC(=O)C5=CN=CC=C5)OC(=O)C6=CN=CC=C6)C)OC(=O)C7=CC=CC=C7

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy