C58H78N6O11

This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
InChI descriptor[cheminf_000113]: InChI=1S/C58H78N6O11/c1-44(65)63(38-18-14-34-61-54(69)48-24-28-50(29-25-48)73-42-46-20-8-6-9-21-46)36-16-12-32-59-52(67)40-58(72,56(71)75-57(3,4)5)41-53(68)60-33-13-17-37-64(45(2)66)39-19-15-35-62-55(70)49-26-30-51(31-27-49)74-43-47-22-10-7-11-23-47/h6-11,20-31,72H,12-19,32-43H2,1-5H3,(H,59,67)(H,60,68)(H,61,69)(H,62,70), and canonical SMILES descriptor[cheminf_000007]: O=C(C(CC(=O)NCCCCN(C(=O)C)CCCCNC(=O)c1ccc(cc1)OCc1ccccc1)(CC(=O)NCCCCN(C(=O)C)CCCCNC(=O)c1ccc(cc1)OCc1ccccc1)O)OC(C)(C)C, and by the IUPAC name[cheminf_000107]: .

The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:

The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-48734

The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
Melting point descriptor[CHEMINF_000256]:
Boiling point descriptor[CHEMINF_000257]:
Refractive index descriptor[CHEMINF_000253]:

The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:

CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)

OBI:0000011 | planned process

CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)

CHMO:0000498 | high-resolution mass spectrometry (HRMS)

The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID:

Used ontologies:
CHEBI - Chemical Entities of Biological Interest
CHEMINF - chemical information ontology (information entities about chemical entities)
CHMO - Chemical Methods Ontology
OBI - Ontology for Biomedical Investigations