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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008907

Jatrophane 3

Formula: C43H53NO14  |  Mol. Weight: 807.90 g/mol

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

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Overview

Molecular Formula C43H53NO14
Molecular Weight 807.90 g/mol
Canonical SMILES CC1C=CC(C(C(C(C(=C)C(C2C(C(CC2(C1OC(=O)C)O)(C)OC(=O)C)OC(=O)C3=CC=CC=C3)OC(=O)C)OC(=O)C(C)C)O)OC(=O)C4=CN=CC=C4)(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy