Dataset

3-hydroxy-drimenol (6BNK078)[100011]

3-hydroxy-drimenol (6BNK078)

Chemical Information

molecular Image
InChI InChI=1S/C15H26O2/c1-10-5-6-12-14(2,3)13(17)7-8-15(12,4)11(10)9-16/h5,11-13,16-17H,6-9H2,1-4H3
SMILES CC1=CCC2C(C)(C)C(O)CCC2(C)C1CO
InChI Key SYSFCGLKPBVTDQ-UHFFFAOYSA-N
Molecular Formula C15H26O2
Exact Mass 238.370 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p6.s42.d118
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D118
Version
Author Rischer M, Raguž L, Guo H, Keiff F, Diekert G, Goris T, Beemelmanns C.
Maintainer
Language english
MetadataPublished 2022-10-28T10:01:50.000000Z
Related Molecule
  • 5-(hydroxymethyl)-1,1,4a,6-tetramethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-ol
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    NMR solvent : MeOD

    acquisition nucleus : ['13C']

    NMR spectrum by dimensionality : 1

    NMR probe : 5 mm CPTCI 1H-13C/15N/D Z-GRD Z75812/0049

    Temperature : 287 K

    magnetic field strength : 14.095295271290505 Tesla

    number of scans : 12288 scans

    nuclear magnetic resonance pulse sequence : udeft

    Spectral Width : 240.019593053924

    number of data points : 1 points

    relaxation time measurement : 3 seconds

    Data-Source Molecule ID Data-Source
    HMDB0036032 Human Metabolome Database
    70126921 NMRShiftDB
    14433088 PubChem
    The data in this table is sourced from UniChem at EBI.