Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C26H40O2/c1-15(18-11-16(18)14-27)20-5-6-21-19-12-23(28-4)26-13-17(26)7-10-25(26,3)22(19)8-9-24(20,21)2/h14-23H,5-13H2,1-4H3/t15-,16-,17-,18-,19+,20-,21+,22+,23-,24-,25-,26+/m1/s1
SMILES	O=C[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	YKIHZJYAWYPKIK-VVBRJHLJSA-N
Molecular Formula	C26H40O2
Exact Mass	384.595 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YKIHZJYAWYPKIK-VVBRJHLJSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/YKIHZJYAWYPKIK-VVBRJHLJSA-N/CHMO0000563
Version
Author	Nicolai Rosenbaum
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T04:23:13.142044
MetadataModified	2024-09-07T19:34:24.824130
MetadataPublished	2021-03-16

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

Data-Source Molecule ID	Data-Source
155804816	PubChem
The data in this table is sourced from UniChem at EBI.