Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C21H32O3/c1-19-8-5-15(22)13-14(19)3-4-16-17(19)6-9-20(2)18(16)7-10-21(20)23-11-12-24-21/h14,16-18H,3-13H2,1-2H3/t14-,16+,17-,18-,19-,20-/m0/s1
SMILES O=C1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC12OCCO1)C)C
InChI Key SLODIKZFXFILEX-PYNNRZRQSA-N
Molecular Formula C21H32O3
Exact Mass 332.477 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SLODIKZFXFILEX-PYNNRZRQSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/SLODIKZFXFILEX-PYNNRZRQSA-N/CHMO0000595
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • (5'S,8'R,9'S,10'S,13'S,14'S)-10',13'-dimethylspiro[1,3-dioxolane-2,17'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-3'-one
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    11771930 PubChem
    SCHEMBL10273598 SureChEMBL
    J3.074.608B Nikkaji
    ZINC000036422895 ZINC
    16881085 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.