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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP033997

[(1R,2R,3S,4R,5R,6S,7R,8R,10R,12R,13S,15R,16S)-15-[(S)-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-trioxahexacyclo[8.6.1.15,8.01,12.03,8.07,12]octadecan-4-yl] (2R,3S)-2,3-dimethyloxirane-2-carboxylate

Formula: C40H52O17  |  Mol. Weight: 804.80 g/mol

IUPAC: [(1R,2R,3S,4R,5R,6S,7R,8R,10R,12R,13S,15R,16S)-15-[(S)-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-trioxahexacyclo[8.6.1.15,8.01,12.03,8.07,12]octadecan-4-yl] (2R,3S)-2,3-dimethyloxirane-2-carboxylate

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Overview

Molecular Formula C40H52O17
Molecular Weight 804.80 g/mol
Canonical SMILES CCC(=O)OC1C23C(C(CC(C24C5(C(C6(CC5(C1(C6OC(=O)C7(C(O7)C)C)O)OC(O4)(O3)C)C)CC(=O)OC)C)O)(C)C(C8=COC=C8)OC(=O)C)CC(=O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy