Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C72H90N6O13/c1-54(79)77(44-24-20-40-75-68(83)60-34-36-62(87-50-56-26-10-6-11-27-56)64(46-60)89-52-58-30-14-8-15-31-58)42-22-18-38-73-66(81)48-72(86,70(85)91-71(3,4)5)49-67(82)74-39-19-23-43-78(55(2)80)45-25-21-41-76-69(84)61-35-37-63(88-51-57-28-12-7-13-29-57)65(47-61)90-53-59-32-16-9-17-33-59/h6-17,26-37,46-47,86H,18-25,38-45,48-53H2,1-5H3,(H,73,81)(H,74,82)(H,75,83)(H,76,84)
SMILES	O=C(CC(C(=O)OC(C)(C)C)(CC(=O)NCCCCN(C(=O)C)CCCCNC(=O)c1ccc(c(c1)OCc1ccccc1)OCc1ccccc1)O)NCCCCN(C(=O)C)CCCCNC(=O)c1ccc(c(c1)OCc1ccccc1)OCc1ccccc1
InChI Key	AEWDTTVEXLIMOR-UHFFFAOYSA-N
Molecular Formula	C72H90N6O13
Exact Mass	1247.517 g/mol

Data and Resources

• mass spectrometry (MS)HTML
  Explore

  • More information
  • Go to resource

• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/AEWDTTVEXLIMOR-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/AEWDTTVEXLIMOR-UHFFFAOYSA-N/CHMO0000470
Version
Author	Michael Mertens
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:55:45.233525
MetadataModified	2025-01-29T16:47:33.481217
MetadataPublished	2024-12-03

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

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