Dataset

3-hydroxy-drimenol (6BNK078).hmbc

3-hydroxy-drimenol (6BNK078)

Chemical Info

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.d117
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D117
Version
Author Rischer M, Raguž L, Guo H, Keiff F, Diekert G, Goris T, Beemelmanns C.
Maintainer
Language english
MetadataCreated 2024-04-22T16:43:44.668999
MetadataModified 2025-02-03T16:15:35.887660
MetadataPublished 2022-10-28 10:01:50
Related Molecule
  • 5-(hydroxymethyl)-1,1,4a,6-tetramethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-ol
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    NMR solvent : MeOD

    acquisition nucleus : 1H , 13C

    NMR spectrum by dimensionality : 2

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

    Temperature : 287 K

    irradiation frequency : 600.27 MHz , 150.938011554 MHz

    magnetic field strength : 14.098298464259486 Tesla

    number of scans : 88 scans

    nuclear magnetic resonance pulse sequence : hmbcgplpndqf

    Spectral Width : 18.0292605712711 , 219.354559217764

    number of data points : 8 points

    relaxation time measurement : 1.5 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.