Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C27H26N2O4/c1-16-25(28-23(30)13-17-9-5-4-6-10-17)24-21(14-18(32-2)15-22(24)33-3)27(16)20-12-8-7-11-19(20)26(31)29-27/h4-12,14-16,25H,13H2,1-3H3,(H,28,30)(H,29,31)/t16-,25-,27+/m1/s1
SMILES	COc1cc(OC)c2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)Cc1ccccc1)C
InChI Key	AZLXCNAIXUPYSM-BHLWPZGCSA-N
Molecular Formula	C27H26N2O4
Exact Mass	442.506 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/AZLXCNAIXUPYSM-BHLWPZGCSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/AZLXCNAIXUPYSM-BHLWPZGCSA-N/CHMO0000498
Version
Author	Georg Manolikakes
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:11:28.515283
MetadataModified	2024-09-08T02:11:28.515288
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.