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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026055

(1S,3S,8R,10S,11R)-8-[(2S)-2,3-dihydroxy-3-methylbutyl]-3-(2-hydroxypropan-2-yl)-11-methyl-10-(3-methylbut-2-enyl)-11-(4-methylpent-3-enyl)-6-(2-methylpropanoyl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione

Formula: C35H54O7  |  Mol. Weight: 586.80 g/mol

IUPAC: (1S,3S,8R,10S,11R)-8-[(2S)-2,3-dihydroxy-3-methylbutyl]-3-(2-hydroxypropan-2-yl)-11-methyl-10-(3-methylbut-2-enyl)-11-(4-methylpent-3-enyl)-6-(2-methylpropanoyl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione

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Overview

Molecular Formula C35H54O7
Molecular Weight 586.80 g/mol
Canonical SMILES CC(C)C(=O)C1=C2C3(CC(O2)C(C)(C)O)C(=O)C(C1=O)(CC(C3(C)CCC=C(C)C)CC=C(C)C)CC(C(C)(C)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy