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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000278

Jatrophane 4

Formula: C39H52O14  |  Mol. Weight: 744.80 g/mol

IUPAC: [(1R,2R,3aR,4S,5S,6E,9S,10S,11S,13R,13aS)-2,4,9,13-tetraacetyloxy-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-1-yl] benzoate

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Overview

Molecular Formula C39H52O14
Molecular Weight 744.80 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)C)(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy