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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP020459

Brevelin A

Formula: C20H26O5  |  Mol. Weight: 346.40 g/mol

IUPAC: [(1S,3aR,5R,5aR,8aR,9S,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] (Z)-2-methylbut-2-enoate

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Overview

Molecular Formula C20H26O5
Molecular Weight 346.40 g/mol
Canonical SMILES CC=C(C)C(=O)OC1C2C(C(=O)OC2CC(C3C1(C(=O)C=C3)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy