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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP039001

[(1S,2R,3R,4R,5S,6R,7S,8S,10S,12S,13S,15S,16R)-2,3-diacetyloxy-15-[(R)-acetyloxy(furan-3-yl)methyl]-13-hydroxy-6,16-bis(2-methoxy-2-oxoethyl)-5,7,10,15-tetramethyl-9,11,17-trioxahexacyclo[8.6.1.15,8.01,12.03,8.07,12]octadecan-4-yl] (2S,3S)-2,3-dimethyloxirane-2-carboxylate

Formula: C41H52O18  |  Mol. Weight: 832.80 g/mol

IUPAC: [(1S,2R,3R,4R,5S,6R,7S,8S,10S,12S,13S,15S,16R)-2,3-diacetyloxy-15-[(R)-acetyloxy(furan-3-yl)methyl]-13-hydroxy-6,16-bis(2-methoxy-2-oxoethyl)-5,7,10,15-tetramethyl-9,11,17-trioxahexacyclo[8.6.1.15,8.01,12.03,8.07,12]octadecan-4-yl] (2S,3S)-2,3-dimethyloxirane-2-carboxylate

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Overview

Molecular Formula C41H52O18
Molecular Weight 832.80 g/mol
Canonical SMILES CC1C(O1)(C)C(=O)OC2C3(CC45C2(C(C67C(C(CC(C6(C4(C3CC(=O)OC)C)OC(O5)(O7)C)O)(C)C(C8=COC=C8)OC(=O)C)CC(=O)OC)OC(=O)C)OC(=O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy