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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000222

(2E)-2-[(2R,3S,4S)-4-hydroxy-3-(hydroxymethyl)-2-(3-hydroxypropyl)-4-methyl-3-[(3E,5E)-4-methyl-6-[(1R,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]hexa-3,5-dienyl]cyclohexylidene]propanal

Formula: C31H50O4  |  Mol. Weight: 486.70 g/mol

IUPAC: (2E)-2-[(2R,3S,4S)-4-hydroxy-3-(hydroxymethyl)-2-(3-hydroxypropyl)-4-methyl-3-[(3E,5E)-4-methyl-6-[(1R,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]hexa-3,5-dienyl]cyclohexylidene]propanal

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Overview

Molecular Formula C31H50O4
Molecular Weight 486.70 g/mol
Canonical SMILES CC1CC=C(C(C1(C)C)C=CC(=CCCC2(C(C(=C(C)C=O)CCC2(C)O)CCCO)CO)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy