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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026074

[(5R,7R,8R,9R,10S,11R,13S,17R)-17-[(2R,3R,5S)-5-[(1R)-1,2-dihydroxy-2-methylpropyl]-3-hydroxy-2-methoxyoxolan-3-yl]-7-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-11-yl] hexanoate

Formula: C37H58O9  |  Mol. Weight: 646.80 g/mol

IUPAC: [(5R,7R,8R,9R,10S,11R,13S,17R)-17-[(2R,3R,5S)-5-[(1R)-1,2-dihydroxy-2-methylpropyl]-3-hydroxy-2-methoxyoxolan-3-yl]-7-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-11-yl] hexanoate

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Overview

Molecular Formula C37H58O9
Molecular Weight 646.80 g/mol
Canonical SMILES CCCCCC(=O)OC1CC2(C(CC=C2C3(C1C4(C=CC(=O)C(C4CC3O)(C)C)C)C)C5(CC(OC5OC)C(C(C)(C)O)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy