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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008313

3-O-protocatechuoyl ceanothic acid

Formula: C37H50O8  |  Mol. Weight: 622.80 g/mol

IUPAC: (1R,2R,5S,8R,9R,10R,13R,14R,15R,16S,18R)-16-(3,4-dihydroxybenzoyl)oxy-1,2,14,17,17-pentamethyl-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-5,15-dicarboxylic acid

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Overview

Molecular Formula C37H50O8
Molecular Weight 622.80 g/mol
Canonical SMILES CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(C(C(C5(C)C)OC(=O)C6=CC(=C(C=C6)O)O)C(=O)O)C)C)C(=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy