Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C41H52O4/c1-25(2)37(42)29-9-17-33(18-10-29)41(34-19-11-30(12-20-34)38(43)26(3)4,35-21-13-31(14-22-35)39(44)27(5)6)36-23-15-32(16-24-36)40(45)28(7)8/h9-28,37-40,42-45H,1-8H3
SMILES	OC(c1ccc(cc1)C(c1ccc(cc1)C(C(C)C)O)(c1ccc(cc1)C(C(C)C)O)c1ccc(cc1)C(C(C)C)O)C(C)C
InChI Key	NUUHPRIKYBNSTK-UHFFFAOYSA-N
Molecular Formula	C41H52O4
Exact Mass	608.849 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NUUHPRIKYBNSTK-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/NUUHPRIKYBNSTK-UHFFFAOYSA-N/CHMO0000470
Version
Author	Yannick Matt
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:36:47.107145
MetadataModified	2024-09-07T18:34:24.549947
MetadataPublished	2020-08-26

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
154573671	PubChem
The data in this table is sourced from UniChem at EBI.