Dataset

fast-atom bombardment mass spectrometry (FABMS)

dataset for fast-atom bombardment mass spectrometry (FABMS)

Chemical Information

molecular Image
InChI InChI=1S/C28H44O3/c1-6-31-25(29)19-13-18(19)16(2)21-7-8-22-20-14-24(30-5)28-15-17(28)9-12-27(28,4)23(20)10-11-26(21,22)3/h16-24H,6-15H2,1-5H3/t16-,17-,18-,19+,20+,21-,22+,23+,24-,26-,27-,28+/m1/s1
SMILES CCOC(=O)[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 YUSXSWPUKFKBNI-LIDDLJRISA-N
Molecular Formula C28H44O3
Exact Mass 428.647 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YUSXSWPUKFKBNI-LIDDLJRISA-N/CHMO0000563
License URL
Source https://www.chemotion-repository.net/inchikey/YUSXSWPUKFKBNI-LIDDLJRISA-N/CHMO0000563
Version
Author Nicolai Rosenbaum
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-03-16
Related Molecule
  • ethyl (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]cyclopropane-1-carboxylate
    • Field Value
    Measurement Technique fast-atom bombardment mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453578 PubChem
    IMULUA CCDC
    The data in this table is sourced from UniChem at EBI.