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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038131

(2R,3R,5S,8R,9S,10R,13R,14S,17R)-2,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde

Formula: C29H42O10  |  Mol. Weight: 550.60 g/mol

IUPAC: (2R,3R,5S,8R,9S,10R,13R,14S,17R)-2,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde

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Overview

Molecular Formula C29H42O10
Molecular Weight 550.60 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2CC3CCC4C(C3(CC2O)C=O)CCC5(C4(CCC5C6=CC(=O)OC6)O)C)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy