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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009319

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2S,4aS,4bR,6aS,7S,8R,10aS,10bR)-8-hydroxy-7-(hydroxymethyl)-2-[(3R,4S)-4-hydroxy-3-methylpentyl]-4a,4b,7,10a-tetramethyl-4,5,6,6a,8,9,10,10b-octahydro-3H-chrysene-2-carboxylate

Formula: C36H58O10  |  Mol. Weight: 650.80 g/mol

IUPAC: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2S,4aS,4bR,6aS,7S,8R,10aS,10bR)-8-hydroxy-7-(hydroxymethyl)-2-[(3R,4S)-4-hydroxy-3-methylpentyl]-4a,4b,7,10a-tetramethyl-4,5,6,6a,8,9,10,10b-octahydro-3H-chrysene-2-carboxylate

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Overview

Molecular Formula C36H58O10
Molecular Weight 650.80 g/mol
Canonical SMILES CC(CCC1(CCC2(C(=C1)C=CC3C2(CCC4C3(CCC(C4(C)CO)O)C)C)C)C(=O)OC5C(C(C(C(O5)CO)O)O)O)C(C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy