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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011935

Crassostreaxanthin B

Formula: C40H54O4  |  Mol. Weight: 598.90 g/mol

IUPAC: (4S,6E,10E,12E,14E,16E,18E,20E,22E)-4-hydroxy-25-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-6,7,10,14,19,23-hexamethylpentacosa-6,10,12,14,16,18,20,22-octaen-24-yne-2,9-dione

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Overview

Molecular Formula C40H54O4
Molecular Weight 598.90 g/mol
Canonical SMILES CC1=C(C(CC(C1)O)(C)C)C#CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C(=O)CC(=C(C)CC(CC(=O)C)O)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy