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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009003

Ipomoeaxanthin C1

Formula: C40H58O3  |  Mol. Weight: 586.90 g/mol

IUPAC: (1R,2S)-2-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-[(2R,7aR)-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl]-3,7,12-trimethylheptadeca-1,3,5,7,9,11,13,15-octaenyl]-1,3,3-trimethylcyclohexane-1,2-diol

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Overview

Molecular Formula C40H58O3
Molecular Weight 586.90 g/mol
Canonical SMILES CC(=CC=CC=C(C)C=CC=C(C)C1C=C2C(CCCC2(O1)C)(C)C)C=CC=C(C)C=CC3(C(CCCC3(C)O)(C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy