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 2024-09-23T09:35:26.423966
MetadataPublished 2022-10-28 10:01:50
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

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.