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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026075

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

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

IUPAC: (1S,5S,9S,11S,12R)-1-benzoyl-9-[(2S)-2,3-dihydroxy-3-methylbutyl]-5-hydroxy-4,4,12-trimethyl-11-(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 C38H52O7
Molecular Weight 620.80 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)O)O)CC=C(C)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy