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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000892

[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(6R)-2-methyl-6-[(8R,9R,10R,13R,14S,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,7,8,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptoxy]oxan-3-yl] benzoate

Formula: C43H64O8  |  Mol. Weight: 709.00 g/mol

IUPAC: [(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(6R)-2-methyl-6-[(8R,9R,10R,13R,14S,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,7,8,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptoxy]oxan-3-yl] benzoate

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Overview

Molecular Formula C43H64O8
Molecular Weight 709.00 g/mol
Canonical SMILES CC(CCCC(C)C1CCC2(C1(CCC3C2CC=C4C3(CCC(=O)C4(C)C)C)C)C)COC5C(C(C(C(O5)CO)OC(=O)C6=CC=CC=C6)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy