BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031358

[(1S,3bR,4R,5aR,10aR,10bR,11R,12aS)-4-hydroxy-1-[(2R,3S,5R)-5-[(1S)-1-hydroxy-2-methoxy-2-methylpropyl]-2-methoxyoxolan-3-yl]-3b,6,6,10a,12a-pentamethyl-8-oxo-1,2,4,5,5a,10b,11,12-octahydroindeno[5,4-g][2]benzoxepin-11-yl] (E)-2-methylbut-2-enoate

Formula: C37H56O9  |  Mol. Weight: 644.80 g/mol

IUPAC: [(1S,3bR,4R,5aR,10aR,10bR,11R,12aS)-4-hydroxy-1-[(2R,3S,5R)-5-[(1S)-1-hydroxy-2-methoxy-2-methylpropyl]-2-methoxyoxolan-3-yl]-3b,6,6,10a,12a-pentamethyl-8-oxo-1,2,4,5,5a,10b,11,12-octahydroindeno[5,4-g][2]benzoxepin-11-yl] (E)-2-methylbut-2-enoate

3D View Find Similar

Overview

Molecular Formula C37H56O9
Molecular Weight 644.80 g/mol
Canonical SMILES CC=C(C)C(=O)OC1CC2(C(CC=C2C3(C1C4(C=CC(=O)OC(C4CC3O)(C)C)C)C)C5CC(OC5OC)C(C(C)(C)OC)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy