Dataset

Phallisacin[5]

Chemical Information

InChI	InChI=1S/C37H50N8O14S/c1-15(2)25-32(54)44-26(27(49)36(57)58)33(55)41-23-12-60-34-19(18-6-4-5-7-20(18)42-34)9-21(29(51)40-22(30(52)43-25)10-37(59,13-46)14-47)39-28(50)16(3)38-31(53)24-8-17(48)11-45(24)35(23)56/h4-7,15-17,21-27,42,46-49,59H,8-14H2,1-3H3,(H,38,53)(H,39,50)(H,40,51)(H,41,55)(H,43,52)(H,44,54)(H,57,58)/t16-,17-,21-,22-,23-,24-,25-,26+,27+/m0/s1
SMILES	CC(C)[C@@H]1NC(=O)[C@H](CC(O)(CO)CO)NC(=O)[C@@H]2CC3=C(NC4=C3C=CC=C4)SC[C@H](NC(=O)[C@@H]([C@@H](O)C(=O)O)NC1=O)C(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H](C)C(=O)N2
InChI Key	CUMAQJMTVOVGKD-TWWVSFTESA-N

Data and Resources

• Phallisacin[5]HTML
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• total-correlation-s...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p143.s1392.d6145
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D6145
Version
Author
Maintainer
Language	english
MetadataPublished	2025-10-23T07:00:00.000000Z
Related Molecule

Field	Value
Measurement Technique	total correlation spectroscopy
Measurement Variables	NMR solvent : DMSO acquisition nucleus : ['1H', '1H'] NMR spectrum by dimensionality : 2 NMR probe : Z810701_0059 (PA BBI 500S2 H-BB-D-05 Z) Temperature : 348.0144 K magnetic field strength : 11.74775999581523 Tesla number of scans : 16 scans nuclear magnetic resonance pulse sequence : mlevph Spectral Width : [12.0145931088975, 12.0001698278544] number of data points : [2048, 64] points relaxation time measurement : 1.3 seconds

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.