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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019969

[(1S,3S,3'R,4aR,5S,6R,6aR,10aS,10bS)-6-benzoyloxy-3',5-dihydroxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[2,5,6,9,10,10a-hexahydro-1H-benzo[f]chromene-3,4'-oxolane]-1-yl] benzoate

Formula: C34H38O9  |  Mol. Weight: 590.70 g/mol

IUPAC: [(1S,3S,3'R,4aR,5S,6R,6aR,10aS,10bS)-6-benzoyloxy-3',5-dihydroxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[2,5,6,9,10,10a-hexahydro-1H-benzo[f]chromene-3,4'-oxolane]-1-yl] benzoate

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Overview

Molecular Formula C34H38O9
Molecular Weight 590.70 g/mol
Canonical SMILES CC1=CCCC2C1(C(C(C3(C2(C(CC4(O3)COC(=O)C4O)OC(=O)C5=CC=CC=C5)C)C)O)OC(=O)C6=CC=CC=C6)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy