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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026297

Halocynthiaxanthin acetate

Formula: C42H56O5  |  Mol. Weight: 640.90 g/mol

IUPAC: [(1R)-4-[(3E,5E,7E,9E,11E,13E,15E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyl-17-oxooctadeca-3,5,7,9,11,13,15-heptaen-1-ynyl]-3,5,5-trimethylcyclohex-3-en-1-yl] acetate

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Overview

Molecular Formula C42H56O5
Molecular Weight 640.90 g/mol
Canonical SMILES CC1=C(C(CC(C1)OC(=O)C)(C)C)C#CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C(=O)CC23C(CC(CC2(O3)C)O)(C)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy