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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013589

(1S,5E,7E,9R,10R,11R,12S,13R,14R,18S,19R,20S,24R,28S,29R,30R)-10-ethenyl-24,29-dihydroxy-22-(hydroxymethyl)-18,26,30-trimethyl-12-[(1E,3E,5E)-nona-1,3,5-trienyl]-2,16-dioxaheptacyclo[16.13.0.01,19.09,14.011,13.020,29.024,28]hentriaconta-5,7,21,26-tetraene-3,15,25-trione

Formula: C44H54O8  |  Mol. Weight: 710.90 g/mol

IUPAC: (1S,5E,7E,9R,10R,11R,12S,13R,14R,18S,19R,20S,24R,28S,29R,30R)-10-ethenyl-24,29-dihydroxy-22-(hydroxymethyl)-18,26,30-trimethyl-12-[(1E,3E,5E)-nona-1,3,5-trienyl]-2,16-dioxaheptacyclo[16.13.0.01,19.09,14.011,13.020,29.024,28]hentriaconta-5,7,21,26-tetraene-3,15,25-trione

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Overview

Molecular Formula C44H54O8
Molecular Weight 710.90 g/mol
Canonical SMILES CCCC=CC=CC=CC1C2C1C3C(C2C=C)C=CC=CCC(=O)OC45CC(C6(C(C4C5(COC3=O)C)C=C(CC7(C6C=C(C7=O)C)O)CO)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy