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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP010187

3,5,7,15-Tetraacetoxy-9-nicotinoyloxy-6(17),11-jatrophadien-14-one

Formula: C34H43NO11  |  Mol. Weight: 641.70 g/mol

IUPAC: [(1S,2S,3aR,5R,6E,9R,11R,13R,13aR)-1,3a,11,13-tetraacetyloxy-2,5,8,8-tetramethyl-12-methylidene-4-oxo-2,3,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-9-yl] pyridine-3-carboxylate

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Overview

Molecular Formula C34H43NO11
Molecular Weight 641.70 g/mol
Canonical SMILES CC1CC2(C(C1OC(=O)C)C(C(=C)C(CC(C(C=CC(C2=O)C)(C)C)OC(=O)C3=CN=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy