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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011813

[(3R,8S,9S,10R,13S,14S,17S)-17-hydroxy-17-[(1R)-1-[(1S,2R,4R,6S)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-10,13-dimethyl-1-oxo-3,4,7,8,9,11,12,14,15,16-decahydro-2H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate

Formula: C28H42O9S  |  Mol. Weight: 554.70 g/mol

IUPAC: [(3R,8S,9S,10R,13S,14S,17S)-17-hydroxy-17-[(1R)-1-[(1S,2R,4R,6S)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-10,13-dimethyl-1-oxo-3,4,7,8,9,11,12,14,15,16-decahydro-2H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate

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Overview

Molecular Formula C28H42O9S
Molecular Weight 554.70 g/mol
Canonical SMILES CC(C1CC2(C(O2)(C(O1)O)C)C)C3(CCC4C3(CCC5C4CC=C6C5(C(=O)CC(C6)OS(=O)(=O)O)C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy