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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019401

Cabraleadiol monoacetate

Formula: C32H54O4  |  Mol. Weight: 502.80 g/mol

IUPAC: [(3R,5R,8R,9R,10R,13R,14R,17S)-17-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

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Overview

Molecular Formula C32H54O4
Molecular Weight 502.80 g/mol
Canonical SMILES CC(=O)OC1CCC2(C3CCC4C(CCC4(C3(CCC2C1(C)C)C)C)C5(CCC(O5)C(C)(C)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy