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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019050

[(2R,3S,4R,5S,6S)-2-[[(3S,5R,10R,13R)-10-formyl-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-5-hydroxy-4-methoxy-6-methyloxan-3-yl] acetate

Formula: C32H46O10  |  Mol. Weight: 590.70 g/mol

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

Overview

Molecular Formula C32H46O10
Molecular Weight 590.70 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C=O)OC(=O)C)OC)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy