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

• 3-hydroxy-drimenol (6BNK078).1dHTML
  Explore

  • More information
  • Go to resource

• 1h-nuclear-magnetic...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p6.s42.d119
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D119
Version
Author	Rischer M, Raguž L, Guo H, Keiff F, Diekert G, Goris T, Beemelmanns C.
Maintainer
Language	english
MetadataCreated	2024-04-22T16:43:58.020468
MetadataModified	2024-09-23T09:35:29.905992
MetadataPublished	2022-10-28 10:01:50

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : MeOD acquisition nucleus : ['1H'] NMR spectrum by dimensionality : 1 NMR probe : 5 mm CPTCI 1H-13C/15N/D Z-GRD Z75812/0049 Temperature : 286.1 K magnetic field strength : 14.098298464259486 Tesla number of scans : 128 scans nuclear magnetic resonance pulse sequence : zg30 Spectral Width : 20.0228607078938 number of data points : 14 points relaxation time measurement : 1 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.