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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP036174

Spinasterol-alpha

Formula: C57H98O6  |  Mol. Weight: 879.40 g/mol

IUPAC: [(2S)-3-dodecanoyloxy-2-[(Z)-icos-11-enoyl]oxypropyl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate

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Overview

Molecular Formula C57H98O6
Molecular Weight 879.40 g/mol
Canonical SMILES CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC)OC(=O)CCCCCCCCCC=CCCCCCCCC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy