Dataset

high resolution fast-atom bombardment mass spectrometry (HRFABMS)

Chemical Info

InChI	InChI=1S/C29H46O2/c1-16(2)26(30)20-13-19(20)17(3)22-7-8-23-21-14-25(31-6)29-15-18(29)9-12-28(29,5)24(21)10-11-27(22,23)4/h16-25H,7-15H2,1-6H3/t17-,18-,19-,20+,21+,22-,23+,24+,25-,27-,28-,29+/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@H]1C[C@@H]1C(=O)C(C)C)C
InChI Key	IVLSDATXNOMANO-WUXLKISSSA-N
Molecular Formula	C29H46O2
Exact Mass	426.674 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/IVLSDATXNOMANO-WUXLKISSSA-N/CHMO0000726
License URL
Source	https://www.chemotion-repository.net/inchikey/IVLSDATXNOMANO-WUXLKISSSA-N/CHMO0000726
Version
Author	Nicolai Rosenbaum
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T04:21:58.739211
MetadataModified	2024-09-07T19:32:45.949131
MetadataPublished	2021-03-16

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

Data-Source Molecule ID	Data-Source
155804817	PubChem
IMUMOV	CCDC
The data in this table is sourced from UniChem at EBI.