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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP016532

[(3S,3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a,9-dimethyl-2-oxo-3,3a,4,5,6,7,9a,9b-octahydrobenzo[g][1]benzofuran-3-yl]methanesulfonic acid

Formula: C15H22O6S  |  Mol. Weight: 330.40 g/mol

IUPAC: [(3S,3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a,9-dimethyl-2-oxo-3,3a,4,5,6,7,9a,9b-octahydrobenzo[g][1]benzofuran-3-yl]methanesulfonic acid

Overview

Molecular Formula C15H22O6S
Molecular Weight 330.40 g/mol
Canonical SMILES CC1=CCC(C2(C1C3C(CC2)C(C(=O)O3)CS(=O)(=O)O)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy