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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003329

[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl] (1S,4S,5R,9S,10R,13R,14R)-14-hydroxy-5,9,14-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

Formula: C31H50O12  |  Mol. Weight: 614.70 g/mol

IUPAC: [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl] (1S,4S,5R,9S,10R,13R,14R)-14-hydroxy-5,9,14-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

Overview

Molecular Formula C31H50O12
Molecular Weight 614.70 g/mol
Canonical SMILES CC12CCCC(C1CCC34C2CCC(C3)C(C4)(C)O)(C)C(=O)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(CO6)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy