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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012159

3-Acetoxy-27-hydroxy-20(29)-lupen-28-oic acid methyl ester

Formula: C33H52O5  |  Mol. Weight: 528.80 g/mol

IUPAC: methyl (1R,3aS,5aS,5bR,7aR,9R,11aR,11bR,13aR,13bR)-9-acetyloxy-5a-(hydroxymethyl)-5b,8,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate

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Overview

Molecular Formula C33H52O5
Molecular Weight 528.80 g/mol
Canonical SMILES CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)CO)C)(C)C)OC(=O)C)C)C(=O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy