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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002570

(1S,2S,5S,6S,7R,10S)-2-formyl-10-[(Z)-16-hydroxyhexadec-9-enoyl]oxy-6-(hydroxymethyl)-6-methyltricyclo[5.3.1.01,5]undec-8-ene-8-carboxylic acid

Formula: C31H48O7  |  Mol. Weight: 532.70 g/mol

IUPAC: (1S,2S,5S,6S,7R,10S)-2-formyl-10-[(Z)-16-hydroxyhexadec-9-enoyl]oxy-6-(hydroxymethyl)-6-methyltricyclo[5.3.1.01,5]undec-8-ene-8-carboxylic acid

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Overview

Molecular Formula C31H48O7
Molecular Weight 532.70 g/mol
Canonical SMILES CC1(C2CCC(C23CC1C(=CC3OC(=O)CCCCCCCC=CCCCCCCO)C(=O)O)C=O)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy