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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006085

[(1S,2R,3S,4S,5R,6S,7R,12R,13R,15R,16R)-15-[(R)-acetyloxy(furan-3-yl)methyl]-3,13-dihydroxy-6,16-bis(2-methoxy-2-oxoethyl)-5,7,10,15-tetramethyl-2-propanoyloxy-9,11,17-trioxapentacyclo[8.6.1.15,8.01,12.07,12]octadecan-4-yl] 2,3-dimethyloxirane-2-carboxylate

Formula: C40H54O17  |  Mol. Weight: 806.80 g/mol

IUPAC: [(1S,2R,3S,4S,5R,6S,7R,12R,13R,15R,16R)-15-[(R)-acetyloxy(furan-3-yl)methyl]-3,13-dihydroxy-6,16-bis(2-methoxy-2-oxoethyl)-5,7,10,15-tetramethyl-2-propanoyloxy-9,11,17-trioxapentacyclo[8.6.1.15,8.01,12.07,12]octadecan-4-yl] 2,3-dimethyloxirane-2-carboxylate

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Overview

Molecular Formula C40H54O17
Molecular Weight 806.80 g/mol
Canonical SMILES CCC(=O)OC1C(C(C2(CC3C(C2CC(=O)OC)(C45C1(C(C(CC4O)(C)C(C6=COC=C6)OC(=O)C)CC(=O)OC)OC(O3)(O5)C)C)C)OC(=O)C7(C(O7)C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy