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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012412

[(3R,8S,9S,10R,13S,14S,17S)-17-[(1R)-1-[(2R,4R,5S)-5,6-dihydroxy-4-methoxy-4,5-dimethyloxan-2-yl]ethyl]-17-hydroxy-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: C29H46O10S  |  Mol. Weight: 586.70 g/mol

IUPAC: [(3R,8S,9S,10R,13S,14S,17S)-17-[(1R)-1-[(2R,4R,5S)-5,6-dihydroxy-4-methoxy-4,5-dimethyloxan-2-yl]ethyl]-17-hydroxy-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 C29H46O10S
Molecular Weight 586.70 g/mol
Canonical SMILES CC(C1CC(C(C(O1)O)(C)O)(C)OC)C2(CCC3C2(CCC4C3CC=C5C4(C(=O)CC(C5)OS(=O)(=O)O)C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy