Dataset

Hydroxysafflor yellow A.hsqc

Chemical Info

InChI	InChI=1S/C27H32O16/c28-7-12-16(32)19(35)21(37)23(42-12)15-18(34)14(11(31)6-3-9-1-4-10(30)5-2-9)24(39)27(41,25(15)40)26-22(38)20(36)17(33)13(8-29)43-26/h1-6,12-13,16-17,19-23,26,28-33,35-38,40-41H,7-8H2/b6-3+,14-11+/t12?,13?,16-,17-,19+,20+,21+,22+,23+,26-,27-/m0/s1
SMILES	O=C1C([C@H]2OC(CO)[C@H](O)[C@@H](O)[C@H]2O)=C(O)[C@](O)([C@H]2OC(CO)[C@H](O)[C@@H](O)[C@H]2O)C(=O)/C1=C(O)\C=C\C1=CC=C(O)C=C1
InChI Key	FMUKFODCTRTDKV-QOOZVVKLSA-N

Data and Resources

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Metadata Information

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Field	Value
DOI	10.57992/nmrxiv.p51.s271.d1586
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1586
Version
Author
Maintainer
Language	english
MetadataCreated	2024-04-22T15:42:11.026560
MetadataModified	2024-04-22T15:42:11.026567
MetadataPublished	2023-12-26 22:35:11

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	NMR solvent : DMSO acquisition nucleus : 1H , 13C NMR spectrum by dimensionality : 2 NMR probe : 5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0287 Temperature : 300.0025 K irradiation frequency : 400.2 MHz , 100.63037 MHz magnetic field strength : 9.399335374742444 Tesla number of scans : 32 scans nuclear magnetic resonance pulse sequence : hsqcedetgpsp.mf Spectral Width : 24.9872688678223 , 170.146625892357 number of data points : 5 points relaxation time measurement : 2.5 seconds