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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019178

Holantosine A

Formula: C28H47NO6  |  Mol. Weight: 493.70 g/mol

IUPAC: (2S,5S,6S,9R,13S,16S)-16-[(2R,5R)-5-amino-4-methoxy-6-methyloxan-2-yl]oxy-6,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosane-2,6-diol

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Overview

Molecular Formula C28H47NO6
Molecular Weight 493.70 g/mol
Canonical SMILES CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC56C4(CCC5C(OC6)(C)O)O)C)OC)N

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy