Dataset

two-dimensional nuclear magnetic resonance spectroscopy (2D NMR)

dataset for two-dimensional nuclear magnetic resonance spectroscopy (2D NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C25H42O2Si/c1-23(2,3)28(6,7)27-18-12-14-24(4)17(16-18)8-9-19-20-10-11-22(26)25(20,5)15-13-21(19)24/h10,17-19,21H,8-9,11-16H2,1-7H3/t17-,18-,19-,21-,24-,25-/m0/s1
SMILES O=C1CC=C2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC[C@@H](C2)O[Si](C(C)(C)C)(C)C
InChI Key KZLZBBZTICQZFV-CMPHSYMRSA-N
Molecular Formula C25H42O2Si
Exact Mass 402.685 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KZLZBBZTICQZFV-CMPHSYMRSA-N/CHMO0000598.2
License URL
Source https://www.chemotion-repository.net/inchikey/KZLZBBZTICQZFV-CMPHSYMRSA-N/CHMO0000598.2
Version
Author Sarah Al Muthafer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T07:49:20.551433
MetadataModified 2024-09-07T23:38:15.064907
MetadataPublished 2022-10-13
Related Molecule
  • (3S,5S,8R,9S,10S,13S)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,16-dodecahydrocyclopenta[a]phenanthren-17-one
    • Field Value
    Measurement Technique two-dimensional nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453553 PubChem
    The data in this table is sourced from UniChem at EBI.