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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP014503

(1S,5E,7R,8S,9R,10R,11R,12R,16S,17R,18S,22R,26S,27R,28R)-8-[(1Z)-buta-1,3-dienyl]-22,27-dihydroxy-20-(hydroxymethyl)-16,24,28-trimethyl-10-[(1E,3E,5E)-nona-1,3,5-trienyl]-2,14-dioxaheptacyclo[14.13.0.01,17.07,12.09,11.018,27.022,26]nonacosa-5,19,24-triene-3,13,23-trione

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

IUPAC: (1S,5E,7R,8S,9R,10R,11R,12R,16S,17R,18S,22R,26S,27R,28R)-8-[(1Z)-buta-1,3-dienyl]-22,27-dihydroxy-20-(hydroxymethyl)-16,24,28-trimethyl-10-[(1E,3E,5E)-nona-1,3,5-trienyl]-2,14-dioxaheptacyclo[14.13.0.01,17.07,12.09,11.018,27.022,26]nonacosa-5,19,24-triene-3,13,23-trione

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Overview

Molecular Formula C44H54O8
Molecular Weight 710.90 g/mol
Canonical SMILES CCCC=CC=CC=CC1C2C1C3C(C2C=CC=C)C=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