Dataset

Actinospirol A (6BHJ758).dept

Chemical Info

InChI	InChI=1S/C17H9ClO7/c1-6-5-8(19)11-12(13(6)18)17(25-16(11)23)14(20)10-7(15(21)22)3-2-4-9(10)24-17/h2-5,19H,1H3,(H,21,22)
SMILES	CC1=CC(O)=C2C(=O)OC3(OC4=CC=CC(C(=O)O)=C4C3=O)C2=C1Cl
InChI Key	XBSPICXSAXOFOV-UHFFFAOYSA-N
Molecular Formula	C17H9ClO7
Exact Mass	360.700 g/mol

Data and Resources

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Metadata Information

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Field	Value
DOI	10.57992/nmrxiv.p6.s45.d134
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D134
Version
Author	Rischer M, Raguž L, Guo H, Keiff F, Diekert G, Goris T, Beemelmanns C.
Maintainer
Language	english
MetadataCreated	2024-04-22T16:33:45.019297
MetadataModified	2024-09-23T09:34:37.416709
MetadataPublished	2022-10-28 10:01:50

Field	Value
Measurement Technique	distortionless enhancement with polarization transfer
Measurement Variables	NMR solvent : DMSO acquisition nucleus : ['13C'] NMR spectrum by dimensionality : 1 NMR probe : 5 mm CPTCI 1H-13C/15N/D Z-GRD Z75812/0049 Temperature : 300 K magnetic field strength : 14.095295271290505 Tesla number of scans : 5120 scans nuclear magnetic resonance pulse sequence : deptsp135 Spectral Width : 220.818026914581 number of data points : 11 points relaxation time measurement : 4 seconds