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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026182

4-((1R,3R,5R,8R,9S,10S,13R,14S,17R)-3-((2R,3R,4R,5R,6S)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yloxy)-1,14-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one

Formula: C30H46O9  |  Mol. Weight: 550.70 g/mol

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

Overview

Molecular Formula C30H46O9
Molecular Weight 550.70 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2CC3CCC4C(C3(C(C2)O)C)CCC5(C4(CCC5C6=CC(=O)OC6)O)C)O)OC)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy