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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002482

[(1S,4R,9R,10R,13R,14R)-14-hydroxy-5,5,9-trimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl 8-methoxy-6-nitronaphtho[1,2-e][1,3]benzodioxole-5-carboxylate

Formula: C37H43NO8  |  Mol. Weight: 629.70 g/mol

IUPAC: [(1S,4R,9R,10R,13R,14R)-14-hydroxy-5,5,9-trimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl 8-methoxy-6-nitronaphtho[1,2-e][1,3]benzodioxole-5-carboxylate

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Overview

Molecular Formula C37H43NO8
Molecular Weight 629.70 g/mol
Canonical SMILES CC1(CCCC2(C1CCC34C2CCC(C3)C(C4)(COC(=O)C5=CC6=C(C7=C8C=CC=C(C8=CC(=C57)[N+](=O)[O-])OC)OCO6)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy