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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002279

Jatrophane 1

Formula: C36H45NO13  |  Mol. Weight: 699.70 g/mol

IUPAC: [(1R,2R,3aR,5R,6E,9R,11R,13R,13aS)-1,2,3a,11,13-pentaacetyloxy-2,5,8,8-tetramethyl-12-methylidene-4-oxo-1,3,5,9,10,11,13,13a-octahydrocyclopenta[12]annulen-9-yl] pyridine-3-carboxylate

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Overview

Molecular Formula C36H45NO13
Molecular Weight 699.70 g/mol
Canonical SMILES CC1C=CC(C(CC(C(=C)C(C2C(C(CC2(C1=O)OC(=O)C)(C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C3=CN=CC=C3)(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy