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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026277

(5Z)-5-[(2E,4E,6E,8E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-2,9-dimethylundeca-2,4,6,8-tetraen-10-ynylidene]-3-[(E)-2-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]ethenyl]furan-2-one

Formula: C37H46O5  |  Mol. Weight: 570.80 g/mol

IUPAC: (5Z)-5-[(2E,4E,6E,8E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-2,9-dimethylundeca-2,4,6,8-tetraen-10-ynylidene]-3-[(E)-2-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]ethenyl]furan-2-one

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Overview

Molecular Formula C37H46O5
Molecular Weight 570.80 g/mol
Canonical SMILES CC1=C(C(CC(C1)O)(C)C)C#CC(=CC=CC=CC=C(C)C=C2C=C(C(=O)O2)C=CC34C(CC(CC3(O4)C)O)(C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy