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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000399

Vaganine D

Formula: C30H48N2O3  |  Mol. Weight: 484.70 g/mol

IUPAC: [(3S,4R,5R,8R,9S,10R,13S,14S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-3-(3-methylbut-2-enoylamino)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate

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Overview

Molecular Formula C30H48N2O3
Molecular Weight 484.70 g/mol
Canonical SMILES CC(C1=CCC2C1(CCC3C2CCC4C3(CCC(C4OC(=O)C)NC(=O)C=C(C)C)C)C)N(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy

Therapeutics & Targets