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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001247

Ergost-24-en-26-oic acid, 5,6,14,20,22,27-hexahydroxy-1-oxo-, I-lactone, (5I+/-,6I(2),22R)-

Formula: C28H42O8  |  Mol. Weight: 506.60 g/mol

IUPAC: (2R)-5-(hydroxymethyl)-2-[(1R)-1-hydroxy-1-[(5R,6R,8R,9S,10R,13R,14R,17S)-5,6,14-trihydroxy-10,13-dimethyl-1-oxo-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethyl]-4-methyl-2,3-dihydropyran-6-one

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Overview

Molecular Formula C28H42O8
Molecular Weight 506.60 g/mol
Canonical SMILES CC1=C(C(=O)OC(C1)C(C)(C2CCC3(C2(CCC4C3CC(C5(C4(C(=O)CCC5)C)O)O)C)O)O)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy