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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP022605

Helicterilic acid

Formula: C39H54O6  |  Mol. Weight: 618.80 g/mol

IUPAC: (4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-6a-(benzoyloxymethyl)-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

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Overview

Molecular Formula C39H54O6
Molecular Weight 618.80 g/mol
Canonical SMILES CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C(=O)O)COC(=O)C6=CC=CC=C6)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy