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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026044

(1S,6S,9R,10S,13S)-10-benzoyl-1-[(2S)-2,3-dihydroxy-3-methylbutyl]-6-(2-hydroxypropan-2-yl)-9-methyl-3,13-bis(3-methylbut-2-enyl)-5-oxatricyclo[7.2.2.04,10]tridec-3-ene-2,11-dione

Formula: C38H52O7  |  Mol. Weight: 620.80 g/mol

IUPAC: (1S,6S,9R,10S,13S)-10-benzoyl-1-[(2S)-2,3-dihydroxy-3-methylbutyl]-6-(2-hydroxypropan-2-yl)-9-methyl-3,13-bis(3-methylbut-2-enyl)-5-oxatricyclo[7.2.2.04,10]tridec-3-ene-2,11-dione

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Overview

Molecular Formula C38H52O7
Molecular Weight 620.80 g/mol
Canonical SMILES CC(=CCC1CC2(C(=O)C(=C3C(C2=O)(C1(CCC(O3)C(C)(C)O)C)C(=O)C4=CC=CC=C4)CC=C(C)C)CC(C(C)(C)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy