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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000844

(1S,3R,5S,7R,9S,11R)-9-benzoyl-11-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(2-hydroxypropan-2-yl)-4,4,8,8-tetramethyltetracyclo[7.3.1.17,11.01,5]tetradecane-10,12,13-trione

Formula: C38H50O5  |  Mol. Weight: 586.80 g/mol

IUPAC: (1S,3R,5S,7R,9S,11R)-9-benzoyl-11-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(2-hydroxypropan-2-yl)-4,4,8,8-tetramethyltetracyclo[7.3.1.17,11.01,5]tetradecane-10,12,13-trione

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Overview

Molecular Formula C38H50O5
Molecular Weight 586.80 g/mol
Canonical SMILES CC(=CCCC(=CCC12CC3CC4C(C(CC4(C1=O)C(=O)C(C2=O)(C3(C)C)C(=O)C5=CC=CC=C5)C(C)(C)O)(C)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy