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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001177

(1R,2R,6R,7S,8S,10R,13R)-8-benzoyloxy-6-(hydroxymethyl)-2,13-dimethyl-12-oxotetracyclo[11.2.1.01,10.02,7]hexadecane-6-carboxylic acid

Formula: C27H34O6  |  Mol. Weight: 454.60 g/mol

IUPAC: (1R,2R,6R,7S,8S,10R,13R)-8-benzoyloxy-6-(hydroxymethyl)-2,13-dimethyl-12-oxotetracyclo[11.2.1.01,10.02,7]hexadecane-6-carboxylic acid

Overview

Molecular Formula C27H34O6
Molecular Weight 454.60 g/mol
Canonical SMILES CC12CCC3(C1)C(CC(C4C3(CCCC4(CO)C(=O)O)C)OC(=O)C5=CC=CC=C5)CC2=O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy