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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP021974

Borapetoside E

Formula: C27H36O11  |  Mol. Weight: 536.60 g/mol

IUPAC: methyl (1S,2R,7S,8S,9R)-8-[(2R)-2-(furan-3-yl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,8-dimethyl-10-oxo-11-oxatricyclo[7.2.1.02,7]dodec-3-ene-3-carboxylate

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Overview

Molecular Formula C27H36O11
Molecular Weight 536.60 g/mol
Canonical SMILES CC1(C2CCC=C(C2(C3CC1C(=O)O3)C)C(=O)OC)CC(C4=COC=C4)OC5C(C(C(C(O5)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy