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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP030966

Cochlioquinone N

Formula: C30H45NO8  |  Mol. Weight: 547.70 g/mol

IUPAC: [(2S,3R,4S)-2-[(3R,4aR,6aR,12S,12aS,12bR)-10-amino-12-hydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-9-yl]-4-methylhexan-3-yl] acetate

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Overview

Molecular Formula C30H45NO8
Molecular Weight 547.70 g/mol
Canonical SMILES CCC(C)C(C(C)C1=C(C(=O)C2=C(C1=O)OC3(CCC4C(C3C2O)(CCC(O4)C(C)(C)O)C)C)N)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy