Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C26H40O3/c1-14(16-11-17(16)23(27)28)19-5-6-20-18-12-22(29-4)26-13-15(26)7-10-25(26,3)21(18)8-9-24(19,20)2/h14-22H,5-13H2,1-4H3,(H,27,28)/t14-,15-,16-,17+,18+,19-,20+,21+,22?,24-,25-,26+/m1/s1
SMILES	COC1C[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)O)C
InChI Key	GUZYJTKHMSDMSW-XOJGDPQHSA-N
Molecular Formula	C26H40O3
Exact Mass	400.594 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/GUZYJTKHMSDMSW-XOJGDPQHSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/GUZYJTKHMSDMSW-XOJGDPQHSA-N/Mass
Version
Author	Nicolai Rosenbaum
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:49:23.306630
MetadataModified	2024-09-07T14:42:40.634618
MetadataPublished	2019-02-04

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
137322013	PubChem
The data in this table is sourced from UniChem at EBI.