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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP016362

Neocaesalpin E

Formula: C21H32O4  |  Mol. Weight: 348.50 g/mol

IUPAC: (4aR,6aS,7R,10aR,11aS,11bR)-4a-hydroxy-10a-methoxy-4,4,7,11b-tetramethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-9-one

Overview

Molecular Formula C21H32O4
Molecular Weight 348.50 g/mol
Canonical SMILES CC1C2CCC3(C(CCCC3(C2CC4(C1=CC(=O)O4)OC)C)(C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy