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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004557

(2E)-2-[(2R,3S,4S)-4-hydroxy-2-(3-hydroxypropyl)-3-[(3E,6E)-5-hydroxy-4,8,12-trimethyltrideca-3,6,11-trienyl]-3,4-dimethylcyclohexylidene]propanal

Formula: C30H50O4  |  Mol. Weight: 474.70 g/mol

IUPAC: (2E)-2-[(2R,3S,4S)-4-hydroxy-2-(3-hydroxypropyl)-3-[(3E,6E)-5-hydroxy-4,8,12-trimethyltrideca-3,6,11-trienyl]-3,4-dimethylcyclohexylidene]propanal

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Overview

Molecular Formula C30H50O4
Molecular Weight 474.70 g/mol
Canonical SMILES CC(CCC=C(C)C)C=CC(C(=CCCC1(C(C(=C(C)C=O)CCC1(C)O)CCCO)C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy