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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003802

[(1R,2R,5S,9S,13S,14R,18S)-3-acetyloxy-14-[(R)-acetyloxy(furan-3-yl)methyl]-8-ethoxy-16-hydroxy-13,18-bis(2-methoxy-2-oxoethyl)-2,5,11,14-tetramethyl-7-methylperoxy-10,12,17-trioxahexacyclo[9.5.1.12,5.01,9.03,7.09,13]octadecan-6-yl] (E)-2-methylbut-2-enoate

Formula: C42H56O18  |  Mol. Weight: 848.90 g/mol

IUPAC: [(1R,2R,5S,9S,13S,14R,18S)-3-acetyloxy-14-[(R)-acetyloxy(furan-3-yl)methyl]-8-ethoxy-16-hydroxy-13,18-bis(2-methoxy-2-oxoethyl)-2,5,11,14-tetramethyl-7-methylperoxy-10,12,17-trioxahexacyclo[9.5.1.12,5.01,9.03,7.09,13]octadecan-6-yl] (E)-2-methylbut-2-enoate

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Overview

Molecular Formula C42H56O18
Molecular Weight 848.90 g/mol
Canonical SMILES CCOC1C2(C(C3(CC2(C(C3CC(=O)OC)(C45C16C(C(CC4O)(C)C(C7=COC=C7)OC(=O)C)(OC(O5)(O6)C)CC(=O)OC)C)OC(=O)C)C)OC(=O)C(=CC)C)OOC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy