Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C30H44N2O3S/c1-19-6-8-22(9-7-19)36(33,34)32-31-18-20(2)24-10-11-25-23-16-27(35-5)30-17-21(30)12-15-29(30,4)26(23)13-14-28(24,25)3/h6-9,18,20-21,23-27,32H,10-17H2,1-5H3/b31-18+/t20-,21-,23+,24-,25+,26+,27-,28-,29-,30+/m1/s1
SMILES	CO[C@@H]1C[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@@]31C[C@H]3CC2)C)[C@@H](/C=N/NS(=O)(=O)c1ccc(cc1)C)C
InChI Key	MIJBNTYGWSAZSG-LIQRDYASSA-N
Molecular Formula	C30H44N2O3S
Exact Mass	512.747 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MIJBNTYGWSAZSG-LIQRDYASSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/MIJBNTYGWSAZSG-LIQRDYASSA-N/CHMO0000563
Version
Author	Lisa Schmidt
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T04:22:57.343132
MetadataModified	2024-09-07T19:34:04.590272
MetadataPublished	2021-03-16

Field	Value
Measurement Technique	fast-atom bombardment mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
11973518	PubChem
16419788	PubChem: Thomson Pharma
J1.296.350E	Nikkaji
IMULOU	CCDC
The data in this table is sourced from UniChem at EBI.