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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP016659

19-Carboxylcalactinic acid methyl ester

Formula: C30H42O11  |  Mol. Weight: 578.60 g/mol

IUPAC: (2R,3R,5S,8R,9S,10R,13R,14S,17R)-2,14-dihydroxy-3-[(2S,3R,5R)-3-hydroxy-3-methoxycarbonyl-5-methyloxolan-2-yl]oxy-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]phenanthrene-10-carboxylic acid

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Overview

Molecular Formula C30H42O11
Molecular Weight 578.60 g/mol
Canonical SMILES CC1CC(C(O1)OC2CC3CCC4C(C3(CC2O)C(=O)O)CCC5(C4(CCC5C6=CC(=O)OC6)O)C)(C(=O)OC)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy