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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011918

Kotalagenin 16-acetate

Formula: C32H50O5  |  Mol. Weight: 514.70 g/mol

IUPAC: [(4aS,5S,6aR,6aS,6bS,8aR,9R,12aS,14aS,14bS)-6a-(hydroxymethyl)-2,2,4a,6a,8a,9,14a-heptamethyl-10,12-dioxo-3,4,5,6,6b,7,8,9,12a,13,14,14b-dodecahydro-1H-picen-5-yl] acetate

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Overview

Molecular Formula C32H50O5
Molecular Weight 514.70 g/mol
Canonical SMILES CC1C(=O)CC(=O)C2C1(CCC3C2(CCC4(C3(CC(C5(C4CC(CC5)(C)C)C)OC(=O)C)CO)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy