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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031506

Ergosta-2,24-dien-26-oic acid, 6-chloro-5,14,17,20,22-pentahydroxy-1-oxo-, I-lactone, (5I(2),6I+/-,17I+/-,22R)-

Formula: C28H39ClO7  |  Mol. Weight: 523.10 g/mol

IUPAC: (2R)-2-[(1S)-1-[(5S,6S,8R,9S,10R,13S,14R,17S)-6-chloro-5,14,17-trihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl]-1-hydroxyethyl]-4,5-dimethyl-2,3-dihydropyran-6-one

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Overview

Molecular Formula C28H39ClO7
Molecular Weight 523.10 g/mol
Canonical SMILES CC1=C(C(=O)OC(C1)C(C)(C2(CCC3(C2(CCC4C3CC(C5(C4(C(=O)C=CC5)C)O)Cl)C)O)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy