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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP020379

Brucein E

Formula: C20H28O9  |  Mol. Weight: 412.40 g/mol

IUPAC: (1R,2R,3R,6R,8S,11S,12S,13S,14R,15R,16S,17S)-2,3,11,12,15,16-hexahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-4-one

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Overview

Molecular Formula C20H28O9
Molecular Weight 412.40 g/mol
Canonical SMILES CC1=CC(C(C2(C1CC3C45C2C(C(C(C4(C(C(=O)O3)O)O)(OC5)C)O)O)C)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy