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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP035238

[(1R,3R,4S,5R,7S,8R,9S,12S,13S)-13-(furan-3-yl)-5,9-dihydroxy-7-(2-methoxy-2-oxoethyl)-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2-oxatetracyclo[7.7.1.01,12.03,8]heptadecan-4-yl] (2S)-2-methylbutanoate

Formula: C33H46O9  |  Mol. Weight: 586.70 g/mol

IUPAC: [(1R,3R,4S,5R,7S,8R,9S,12S,13S)-13-(furan-3-yl)-5,9-dihydroxy-7-(2-methoxy-2-oxoethyl)-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2-oxatetracyclo[7.7.1.01,12.03,8]heptadecan-4-yl] (2S)-2-methylbutanoate

Overview

Molecular Formula C33H46O9
Molecular Weight 586.70 g/mol
Canonical SMILES CCC(C)C(=O)OC1C(C(C(C2(C1OC34CC(=O)CC(C3(CCC2(C4=C)O)C)C5=COC=C5)C)CC(=O)OC)(C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy