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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006519

[(1S,2R,3S,7S,8R,10R,11R,15S,16S,17S)-3,17-diacetyloxy-15-(furan-3-yl)-10-(2-hydroxy-3-methylbutanoyl)oxy-2,7,16-trimethyl-5-oxo-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-12-en-7-yl]methyl 2,3-dihydroxy-3-methylpentanoate

Formula: C40H56O14  |  Mol. Weight: 760.90 g/mol

IUPAC: [(1S,2R,3S,7S,8R,10R,11R,15S,16S,17S)-3,17-diacetyloxy-15-(furan-3-yl)-10-(2-hydroxy-3-methylbutanoyl)oxy-2,7,16-trimethyl-5-oxo-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-12-en-7-yl]methyl 2,3-dihydroxy-3-methylpentanoate

Overview

Molecular Formula C40H56O14
Molecular Weight 760.90 g/mol
Canonical SMILES CCC(C)(C(C(=O)OCC1(C2CC(C3C(C2(C(CC(=O)O1)OC(=O)C)C)CC(C4(C3=CCC4C5=COC=C5)C)OC(=O)C)OC(=O)C(C(C)C)O)C)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy