C25H46O3Si
收藏DataCite Commons2025-05-21 更新2025-06-14 收录
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https://www.chemotion-repository.net/inchikey/NLAKMHFYIWWGEC-RQIMWRLTSA-N.1
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资源简介:
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/C25H46O3Si/c1-23(2,3)29(6,7)28-22-11-10-18-17-9-8-16-14-20(26)21(27)15-25(16,5)19(17)12-13-24(18,22)4/h16-22,26-27H,8-15H2,1-7H3/t16-,17?,18-,19-,20+,21-,22-,24-,25-/m0/s1, and canonical SMILES descriptor[cheminf_000007]: O[C@H]1C[C@@]2(C)[C@H](C[C@H]1O)CCC1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O[Si](C(C)(C)C)(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-8019
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:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
CHMO:0000470 | mass spectrometry (MS)
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:
2025-05-21



