Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C28H44O3/c1-6-31-25(29)19-13-18(19)16(2)21-7-8-22-20-14-24(30-5)28-15-17(28)9-12-27(28,4)23(20)10-11-26(21,22)3/h16-24H,6-15H2,1-5H3/t16-,17-,18-,19+,20+,21-,22+,23+,24-,26-,27-,28+/m1/s1
SMILES	CCOC(=O)[C@H]1C[C@@H]1[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]([C@]23[C@]1(C)CC[C@@H]3C2)OC)C
InChI Key	YUSXSWPUKFKBNI-LIDDLJRISA-N
Molecular Formula	C28H44O3
Exact Mass	428.647 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YUSXSWPUKFKBNI-LIDDLJRISA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/YUSXSWPUKFKBNI-LIDDLJRISA-N/CHMO0000563
Version
Author	Nicolai Rosenbaum
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T04:23:49.334765
MetadataModified	2024-09-07T19:35:10.582552
MetadataPublished	2021-03-16

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

Data-Source Molecule ID	Data-Source
138453578	PubChem
IMULUA	CCDC
The data in this table is sourced from UniChem at EBI.