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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP030633

6-[4,5-Dihydroxy-6-methoxycarbonyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-7,12,16-trimethyl-15-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid

Formula: C43H64O16  |  Mol. Weight: 837.00 g/mol

IUPAC: 6-[4,5-dihydroxy-6-methoxycarbonyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-7,12,16-trimethyl-15-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid

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Overview

Molecular Formula C43H64O16
Molecular Weight 837.00 g/mol
Canonical SMILES CC1=CCC(OC1=O)C(C)C2CCC3(C2(CCC45C3CCC6C4(C5)CCC(C6(C)C(=O)O)OC7C(C(C(C(O7)C(=O)OC)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy