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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP024009

Absinthin (van)

Formula: C30H40O6  |  Mol. Weight: 496.60 g/mol

IUPAC: (1R,2R,5R,8S,9S,12S,13R,14S,15S,16R,17S,20S,21S,24S)-12,17-dihydroxy-3,8,12,17,21,25-hexamethyl-6,23-dioxaheptacyclo[13.9.2.01,16.02,14.04,13.05,9.020,24]hexacosa-3,25-diene-7,22-dione

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Overview

Molecular Formula C30H40O6
Molecular Weight 496.60 g/mol
Canonical SMILES CC1C2CCC(C3C4C5C=C(C6(C4C(=C3C2OC1=O)C)C5C(CCC7C6OC(=O)C7C)(C)O)C)(C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy