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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP014112

Lactucain B

Formula: C30H32O9  |  Mol. Weight: 536.60 g/mol

IUPAC: (3aR,4S,9aS,9bR)-4-[[(3S,3aR,4S,9aS,9bR)-9-(hydroxymethyl)-3,6-dimethyl-2,7-dioxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl]oxy]-9-(hydroxymethyl)-6-methyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione

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Overview

Molecular Formula C30H32O9
Molecular Weight 536.60 g/mol
Canonical SMILES CC1C2C(CC(=C3C(C2OC1=O)C(=CC3=O)CO)C)OC4CC(=C5C(C6C4C(=C)C(=O)O6)C(=CC5=O)CO)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy