C25H44OSi
收藏DataCite Commons2025-05-21 更新2026-04-25 收录
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https://www.chemotion-repository.net/inchikey/WMKWIEJZKNCTIZ-GVZUSXLXSA-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/C25H44OSi/c1-23(2,3)27(6,7)26-22-14-13-20-19-12-11-18-10-8-9-16-24(18,4)21(19)15-17-25(20,22)5/h8-9,18-22H,10-17H2,1-7H3/t18-,19?,20+,21+,22+,24+,25+/m1/s1, and canonical SMILES descriptor[cheminf_000007]: C[C@@]12CC[C@H]3C([C@@H]2CC[C@@H]1O[Si](C(C)(C)C)(C)C)CC[C@@H]1[C@]3(C)CC=CC1, 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-8028
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: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



