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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP034730

(1S,9S,10S,11R)-7-benzoyl-11-(3-hydroxy-3-methylbutyl)-10-(4-hydroxy-4-methylpentyl)-4,4,10-trimethyl-5-oxatricyclo[7.3.1.01,6]tridec-6-ene-8,13-dione

Formula: C33H46O6  |  Mol. Weight: 538.70 g/mol

IUPAC: (1S,9S,10S,11R)-7-benzoyl-11-(3-hydroxy-3-methylbutyl)-10-(4-hydroxy-4-methylpentyl)-4,4,10-trimethyl-5-oxatricyclo[7.3.1.01,6]tridec-6-ene-8,13-dione

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Overview

Molecular Formula C33H46O6
Molecular Weight 538.70 g/mol
Canonical SMILES CC1(CCC23CC(C(C(C2=O)C(=O)C(=C3O1)C(=O)C4=CC=CC=C4)(C)CCCC(C)(C)O)CCC(C)(C)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy