Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Information

molecular Image
InChI InChI=1S/C20H26O4/c1-18(2,24)12-6-7-14-13(10-12)15(21)11-16-19(14,3)8-5-9-20(16,4)17(22)23/h6-7,10,16,24H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,19-,20-/m1/s1
SMILES OC(=O)[C@]1(C)CCC[C@]2([C@H]1CC(=O)c1c2ccc(c1)C(O)(C)C)C
InChI Key MXPXAZNVQUWDFH-NSISKUIASA-N
Exact Mass 330.418 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MXPXAZNVQUWDFH-NSISKUIASA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/MXPXAZNVQUWDFH-NSISKUIASA-N/CHMO0001150
Version
Author Jana Klein
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-08-11
Related Molecule
  • (1R,4aS,10aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL597920 ChEMBL
    MCULE-7907400019 Mcule
    J888.048D Nikkaji
    14017925 PubChem
    60064814 NMRShiftDB
    31704974 eMolecules
    ZINC000013302718 ZINC
    The data in this table is sourced from UniChem at EBI.