Dataset

Phallacidin[8]

Chemical Information

InChI	InChI=1S/C37H50N8O13S/c1-15(2)25-32(53)44-26(27(48)36(56)57)33(54)41-23-13-59-34-19(18-7-5-6-8-20(18)42-34)10-21(29(50)40-22(30(51)43-25)11-37(4,58)14-46)39-28(49)16(3)38-31(52)24-9-17(47)12-45(24)35(23)55/h5-8,15-17,21-27,42,46-48,58H,9-14H2,1-4H3,(H,38,52)(H,39,49)(H,40,50)(H,41,54)(H,43,51)(H,44,53)(H,56,57)/t16-,17-,21-,22-,23-,24-,25-,26+,27+,37+/m0/s1
SMILES	CC(C)[C@@H]1NC(=O)[C@H](C[C@@](C)(O)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	KUBDTFZQCYLLGC-VZORSVKHSA-N

Data and Resources

• Phallacidin[8]HTML
  Go to source

• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p143.s1393.d6156
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D6156
Version
Author
Maintainer
Language	english
MetadataPublished	2025-10-23T07:00:00.000000Z
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : DMSO acquisition nucleus : ['13C'] NMR spectrum by dimensionality : 1 NMR probe : Z810701_0059 (PA BBI 500S2 H-BB-D-05 Z) Temperature : 348.0144 K magnetic field strength : 11.745970784482695 Tesla number of scans : 2048 scans nuclear magnetic resonance pulse sequence : udeft-jfg Spectral Width : 236.606113010093 number of data points : 21424 points relaxation time measurement : 2 seconds

Data-Source Molecule ID	Data-Source
44140563	PubChem
ZINC000096077621	ZINC
52732	ChEBI
SCHEMBL377325	SureChEMBL
The data in this table is sourced from UniChem at EBI.