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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001864

(8S,9S,10R,13S,14S,17S)-17-[(1R)-1-[(1R,2R,4R,6S)-1,6-dimethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-17-hydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-4H-cyclopenta[a]phenanthren-1-one

Formula: C34H50O10  |  Mol. Weight: 618.80 g/mol

IUPAC: (8S,9S,10R,13S,14S,17S)-17-[(1R)-1-[(1R,2R,4R,6S)-1,6-dimethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-17-hydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-4H-cyclopenta[a]phenanthren-1-one

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Overview

Molecular Formula C34H50O10
Molecular Weight 618.80 g/mol
Canonical SMILES CC(C1CC2(C(O2)(C(O1)OC3C(C(C(C(O3)CO)O)O)O)C)C)C4(CCC5C4(CCC6C5CC=C7C6(C(=O)C=CC7)C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy