Dataset

fast-atom bombardment mass spectrometry (FABMS)

dataset for fast-atom bombardment mass spectrometry (FABMS)

Chemical Information

molecular Image
InChI InChI=1S/C26H42O2/c1-15(18-11-16(18)14-27)20-5-6-21-19-12-23(28-4)26-13-17(26)7-10-25(26,3)22(19)8-9-24(20,21)2/h15-23,27H,5-14H2,1-4H3/t15-,16-,17-,18-,19+,20-,21+,22+,23-,24-,25-,26+/m1/s1
SMILES OC[C@H]1C[C@@H]1[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]([C@]23[C@]1(C)CC[C@@H]3C2)OC)C
InChI Key JMSDENZFQRIIEY-VVBRJHLJSA-N
Molecular Formula C26H42O2
Exact Mass 386.610 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JMSDENZFQRIIEY-VVBRJHLJSA-N/CHMO0000563
License URL
Source https://www.chemotion-repository.net/inchikey/JMSDENZFQRIIEY-VVBRJHLJSA-N/CHMO0000563
Version
Author Nicolai Rosenbaum
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-03-16
Related Molecule
  • [(1S,2R)-2-[(1R)-1-[(1S,2R,5R,7R,8R,10S,11S,14R,15R)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]ethyl]cyclopropyl]methanol
    • Field Value
    Measurement Technique fast-atom bombardment mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    155804815 pubchem
    IMUMEL CCDC
    The data in this table is sourced from UniChem at EBI.