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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP016330

Methyl 3-acetoxy-3-dehydroxyursolate

Formula: C33H52O4  |  Mol. Weight: 512.80 g/mol

IUPAC: methyl (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate

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Overview

Molecular Formula C33H52O4
Molecular Weight 512.80 g/mol
Canonical SMILES CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C)C)C)C2C1C)C)C(=O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy