Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C31H38O/c1-30-18-16-25(32)20-24(30)12-13-26-28-15-14-27(31(28,2)19-17-29(26)30)23-10-8-22(9-11-23)21-6-4-3-5-7-21/h3-11,14,24-26,28-29,32H,12-13,15-20H2,1-2H3/t24-,25-,26-,28-,29-,30-,31+/m0/s1
SMILES	O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC=C2c1ccc(cc1)c1ccccc1)C)C
InChI Key	LYUBVJORHPSOKN-BJFASDGLSA-N
Molecular Formula	C31H38O
Exact Mass	426.633 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/LYUBVJORHPSOKN-BJFASDGLSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/LYUBVJORHPSOKN-BJFASDGLSA-N/CHMO0000470
Version
Author	Vanessa Koch
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:48:37.433782
MetadataModified	2024-09-07T16:09:01.613904
MetadataPublished	2019-10-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
139291493	PubChem
The data in this table is sourced from UniChem at EBI.