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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007146

(1S,2S,5S,7R,10S)-2-formyl-6,6-dimethyl-10-[(9R,10R)-9,10,16-trihydroxyhexadecanoyl]oxytricyclo[5.3.1.01,5]undec-8-ene-8-carboxylic acid

Formula: C31H50O8  |  Mol. Weight: 550.70 g/mol

IUPAC: (1S,2S,5S,7R,10S)-2-formyl-6,6-dimethyl-10-[(9R,10R)-9,10,16-trihydroxyhexadecanoyl]oxytricyclo[5.3.1.01,5]undec-8-ene-8-carboxylic acid

Overview

Molecular Formula C31H50O8
Molecular Weight 550.70 g/mol
Canonical SMILES CC1(C2CCC(C23CC1C(=CC3OC(=O)CCCCCCCC(C(CCCCCCO)O)O)C(=O)O)C=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy