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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP023321

Isocapsicastrine

Formula: C33H55NO7  |  Mol. Weight: 577.80 g/mol

IUPAC: (3R,4S,5S,6R)-2-[[(8S,9S,10R,13S,14S,17R)-16-hydroxy-10,13-dimethyl-17-[(1S)-1-(5-methylpiperidin-2-yl)ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C33H55NO7
Molecular Weight 577.80 g/mol
Canonical SMILES CC1CCC(NC1)C(C)C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)O)O)C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy