Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C40H58N6O13/c1-27(47)45(21-9-5-17-43-37(55)29-11-13-31(49)33(51)23-29)19-7-3-15-41-35(53)25-40(59,39(57)58)26-36(54)42-16-4-8-20-46(28(2)48)22-10-6-18-44-38(56)30-12-14-32(50)34(52)24-30/h11-14,23-24,49-52,59H,3-10,15-22,25-26H2,1-2H3,(H,41,53)(H,42,54)(H,43,55)(H,44,56)(H,57,58)
SMILES	O=C(CC(C(=O)O)(CC(=O)NCCCCN(C(=O)C)CCCCNC(=O)c1ccc(c(c1)O)O)O)NCCCCN(C(=O)C)CCCCNC(=O)c1ccc(c(c1)O)O
InChI Key	RJSLECSNCPOVEH-UHFFFAOYSA-N
Molecular Formula	C40H58N6O13
Exact Mass	830.921 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/RJSLECSNCPOVEH-UHFFFAOYSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/RJSLECSNCPOVEH-UHFFFAOYSA-N/CHMO0000498
Version
Author	Michael Mertens
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:55:11.087465
MetadataModified	2025-01-29T16:47:02.288415
MetadataPublished	2024-12-03
Related Molecule

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

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