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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP015214

(10S)-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-10-[(9R)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4,5-dihydroxy-7-methyl-10-oxo-9H-anthracen-9-yl]-1,8-dihydroxy-6-methyl-10H-anthracen-9-one

Formula: C50H54O8  |  Mol. Weight: 783.00 g/mol

IUPAC: (10S)-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-10-[(9R)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4,5-dihydroxy-7-methyl-10-oxo-9H-anthracen-9-yl]-1,8-dihydroxy-6-methyl-10H-anthracen-9-one

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Overview

Molecular Formula C50H54O8
Molecular Weight 783.00 g/mol
Canonical SMILES CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C5=C(C(=CC(=C5)C)O)C(=O)C6=C4C=C(C=C6O)OCC=C(C)CCC=C(C)C)C=C(C=C3O)OCC=C(C)CCC=C(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy