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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP034110

3,19-Dihydroxy-6,23-dioxo-12-ursen-28-oic acid

Formula: C30H44O6  |  Mol. Weight: 500.70 g/mol

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

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Overview

Molecular Formula C30H44O6
Molecular Weight 500.70 g/mol
Canonical SMILES CC1CCC2(CCC3(C(=CCC4C3(CC(=O)C5C4(CCC(C5(C)C=O)O)C)C)C2C1(C)O)C)C(=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy