Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C28H26N2O4/c1-17-26(29-24(31)14-13-18-9-5-4-6-10-18)25-22(15-19(33-2)16-23(25)34-3)28(17)21-12-8-7-11-20(21)27(32)30-28/h4-17,26H,1-3H3,(H,29,31)(H,30,32)/b14-13+/t17-,26-,28+/m1/s1
SMILES	COc1cc(OC)c2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)/C=C/c1ccccc1)C
InChI Key	CYYPUJZZKLYOSV-OZEOBXJISA-N
Molecular Formula	C28H26N2O4
Exact Mass	454.517 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CYYPUJZZKLYOSV-OZEOBXJISA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/CYYPUJZZKLYOSV-OZEOBXJISA-N/CHMO0000498
Version
Author	Georg Manolikakes
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:11:34.885182
MetadataModified	2024-09-08T02:11:34.885188
MetadataPublished	2023-12-15

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.