Unii-PU2C6Y564G structure

Unii-PU2C6Y564G

[(1S,3S,18S,19R,20R,21R,22S,23R,25R)-20,22,23,25-tetraacetyloxy-21-(acetyloxymethyl)-15,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] benzoate

Also Known As: Wilfordine|Wilfordin

CAS: 37239-51-3
Molecular Formula C43H49NO19
Molecular Weight 883.28986 g/mol
LogP 1.2714
Topological Polar Surface Area 272.98 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 20
Rotatable Bonds 8
Exact Mass 883.28986
Monoisotopic Mass 883.28986
Heavy Atoms 63
Complexity 2189.8567

Chemical Identifiers

CAS Number 37239-51-3
SMILES CC(=O)OC[C@@]12[C@H]([C@H]([C@H]3C([C@@]14[C@@H](C([C@H]([C@H]2OC(=O)C)OC(=O)C)[C@](O4)(COC(=O)C5=C(CCC(C(=O)O3)(C)O)N=CC=C5)C)OC(=O)C)(C)O)OC(=O)C6=CC=CC=C6)OC(=O)C

Product Overview

Unii-PU2C6Y564G (CAS 37239-51-3), with molecular formula C43H49NO19 and molecular weight 883.28986 g/mol. IUPAC: [(1S,3S,18S,19R,20R,21R,22S,23R,25R)-20,22,23,25-tetraacetyloxy-21-(acetyloxymethyl)-15,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] benzoate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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