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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011919

Methyl quadrangularate

Formula: C31H50O6  |  Mol. Weight: 518.70 g/mol

IUPAC: methyl (1S,3S,4S,6S,7S,8R,11S,12S,15R,16R)-15-[(2R,5S)-1,5-dihydroxy-6-methylhept-6-en-2-yl]-4,6-dihydroxy-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylate

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Overview

Molecular Formula C31H50O6
Molecular Weight 518.70 g/mol
Canonical SMILES CC(=C)C(CCC(CO)C1CCC2(C1(CCC34C2CCC5C3(C4)C(CC(C5(C)C(=O)OC)O)O)C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy