Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C26H35IO2/c1-24-13-10-20(29-17-18-6-4-3-5-7-18)16-19(24)8-9-22-21(24)11-14-25(2)23(27)12-15-26(22,25)28/h3-7,12,19-22,28H,8-11,13-17H2,1-2H3/t19-,20-,21-,22+,24-,25+,26-/m0/s1
SMILES	IC1=CC[C@]2([C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC[C@@H](C2)OCc1ccccc1)O
InChI Key	ZQYIAZUUTSEOHI-SIGVLJBRSA-N
Molecular Formula	C26H35IO2
Exact Mass	506.459 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/ZQYIAZUUTSEOHI-SIGVLJBRSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/ZQYIAZUUTSEOHI-SIGVLJBRSA-N/CHMO0000470
Version
Author	Sarah Al Muthafer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:48:31.840108
MetadataModified	2024-09-07T23:37:08.502447
MetadataPublished	2022-10-11

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
165369098	PubChem
The data in this table is sourced from UniChem at EBI.