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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026054

(1S,5R,9R,11S,12R)-1-benzoyl-5-hydroxy-4,4,12-trimethyl-9,11-bis(3-methylbut-2-enyl)-12-(4-methylpent-3-enyl)-3-oxatricyclo[7.3.1.02,7]tridec-2(7)-ene-8,13-dione

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

IUPAC: (1S,5R,9R,11S,12R)-1-benzoyl-5-hydroxy-4,4,12-trimethyl-9,11-bis(3-methylbut-2-enyl)-12-(4-methylpent-3-enyl)-3-oxatricyclo[7.3.1.02,7]tridec-2(7)-ene-8,13-dione

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Overview

Molecular Formula C38H50O5
Molecular Weight 586.80 g/mol
Canonical SMILES CC(=CCCC1(C(CC2(C(=O)C3=C(C1(C2=O)C(=O)C4=CC=CC=C4)OC(C(C3)O)(C)C)CC=C(C)C)CC=C(C)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy