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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006086

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

Formula: C41H54O19  |  Mol. Weight: 850.90 g/mol

IUPAC: [(1S,2R,3S,4S,5R,6S,7R,12R,13R,15S,16S)-2,3-diacetyloxy-15-[(R)-acetyloxy(furan-3-yl)methyl]-13,16-dihydroxy-6,16-bis(2-methoxy-2-oxoethyl)-5,7,10,15-tetramethyl-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 C41H54O19
Molecular Weight 850.90 g/mol
Canonical SMILES CC1C(O1)(C)C(=O)OC2C(C(C34C(C(CC(C35C6(C(CC2(C6CC(=O)OC)C)OC(O5)(O4)C)C)O)(C)C(C7=COC=C7)OC(=O)C)(CC(=O)OC)O)OC(=O)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy