Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C40H54B4O8/c1-33(2)34(3,4)46-41(45-33)27-21-28(42-47-35(5,6)36(7,8)48-42)24-19-20-26-30(44-51-39(13,14)40(15,16)52-44)22-29(25-18-17-23(27)31(24)32(25)26)43-49-37(9,10)38(11,12)50-43/h17-22H,1-16H3
SMILES	CC1(C)OB(OC1(C)C)c1cc(B2OC(C(O2)(C)C)(C)C)c2c3c1ccc1c3c(cc2)c(cc1B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C
InChI Key	LVHDPHZXHAGSPT-UHFFFAOYSA-N
Molecular Formula	C40H54B4O8
Exact Mass	706.096 g/mol

Data and Resources

• mass spectrometry (MS)HTML
  Explore

  • More information
  • Go to resource

• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LVHDPHZXHAGSPT-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/LVHDPHZXHAGSPT-UHFFFAOYSA-N/CHMO0000470
Version
Author	Tobias Sengpiel
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:05:30.761286
MetadataModified	2024-09-08T03:05:30.761292
MetadataPublished	2024-02-23

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
57702551	PubChem
J3.138.880E	Nikkaji
GOPFUO	CCDC
CB33959555	ChemicalBook
SCHEMBL13855203	SureChEMBL
The data in this table is sourced from UniChem at EBI.