BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013650

Cimilactone A

Formula: C33H50O9  |  Mol. Weight: 590.70 g/mol

IUPAC: [(1R,3R,4R,5R,6R,10S,12S,13S,16R,18S,21R)-4,6,12,17,17-pentamethyl-8-oxo-18-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-3-yl] acetate

3D View Find Similar

Overview

Molecular Formula C33H50O9
Molecular Weight 590.70 g/mol
Canonical SMILES CC1CC(=O)OC2C1C3(C(CC45CC46CCC(C(C6CCC5C3(C2)C)(C)C)OC7C(C(C(CO7)O)O)O)OC(=O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy