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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP027276

1-Cinnamoylmelianolone

Formula: C35H42O11  |  Mol. Weight: 638.70 g/mol

IUPAC: [(1S,4R,5R,7S,8R,9R,10R,11S,12S)-9-acetyl-5,11-dihydroxy-8-(hydroxymethyl)-10-[(1R,2S,6R,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-4,10-dimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-7-yl] (E)-3-phenylprop-2-enoate

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Overview

Molecular Formula C35H42O11
Molecular Weight 638.70 g/mol
Canonical SMILES CC(=O)C1C(C(C2C3C1(C(CC(C3(CO2)C)O)OC(=O)C=CC4=CC=CC=C4)CO)O)(C)C56C7CC(C5(O6)C)C8(C=COC8O7)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy