Dataset

3-hydroxy-drimenol (6BNK078).1d

Chemical Info

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

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p6.s42.d114
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D114
Version
Author	Rischer M, Raguž L, Guo H, Keiff F, Diekert G, Goris T, Beemelmanns C.
Maintainer
Language	english
MetadataCreated	2024-04-22T16:34:56.601961
MetadataModified	2024-09-23T09:34:42.875229
MetadataPublished	2022-10-28 10:01:50

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 : 5 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.