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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007785

(3S,5R,8R,9S,10R,13R,14S,17R)-14-hydroxy-3-[(4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-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-carbaldehyde

Formula: C30H44O8  |  Mol. Weight: 532.70 g/mol

IUPAC: (3S,5R,8R,9S,10R,13R,14S,17R)-14-hydroxy-3-[(4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-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-carbaldehyde

Overview

Molecular Formula C30H44O8
Molecular Weight 532.70 g/mol
Canonical SMILES CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(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