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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP020525

Isothankunic acid

Formula: C30H48O6  |  Mol. Weight: 504.70 g/mol

IUPAC: 8,8a,10-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,2,3,4,5,6,6a,7,8,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Overview

Molecular Formula C30H48O6
Molecular Weight 504.70 g/mol
Canonical SMILES CC1CCC2(CCC3(C(=CCC4C3(CC(C5(C4(CCC(C5(C)CO)O)C)O)O)C)C2C1C)C)C(=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy