C30H33N
收藏DataCite Commons2025-04-22 更新2025-05-10 收录
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https://www.chemotion-repository.net/inchikey/IXIVTXOHXVVPAC-UHFFFAOYSA-N.3
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资源简介:
This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367], while the molecule[CHEBI_25367] is only part of the composition and does not describe the chemical entity[CHEBI_24431] sufficiently.
The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
InChI descriptor[cheminf_000113]: InChI=1S/C30H33N/c1-30(2,22-31)29(10-6-9-23-7-4-3-5-8-23)28-21-26-16-15-24-11-13-25(14-12-24)17-19-27(28)20-18-26/h3-5,7-8,11-14,18,20-21,29H,6,9-10,15-17,19H2,1-2H3, and canonical SMILES descriptor[cheminf_000007]: N#CC(C(c1cc2ccc1CCc1ccc(CC2)cc1)CCCc1ccccc1)(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-42063
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:0001011 | gel filtration chromatography (GPC)
BFO:0000015 | process
CHMO:0000630 | infrared absorption spectroscopy (IR)
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
提供机构:
chemotion-repository
创建时间:
2025-04-22



