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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP030267

3-Oxo-23-hydroxyurs-12-en-28-oic acid

Formula: C30H46O4  |  Mol. Weight: 470.70 g/mol

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

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Overview

Molecular Formula C30H46O4
Molecular Weight 470.70 g/mol
Canonical SMILES CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)CO)C)C)C2C1C)C)C(=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy