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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025588

1-[(1S,3aS,10aR)-1,7,9-trihydroxy-1,4,4-trimethyl-3,3a,10,10a-tetrahydro-2H-cyclopenta[c][1]benzoxepin-6-yl]-2-methylpropan-1-one

Formula: C20H28O5  |  Mol. Weight: 348.40 g/mol

IUPAC: 1-[(1S,3aS,10aR)-1,7,9-trihydroxy-1,4,4-trimethyl-3,3a,10,10a-tetrahydro-2H-cyclopenta[c][1]benzoxepin-6-yl]-2-methylpropan-1-one

Overview

Molecular Formula C20H28O5
Molecular Weight 348.40 g/mol
Canonical SMILES CC(C)C(=O)C1=C(C=C(C2=C1OC(C3CCC(C3C2)(C)O)(C)C)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy