Dataset

Viroidin[2]

Chemical Information

InChI	InChI=1S/C38H56N8O15S/c1-16(2)26-33(55)45-27(18(4)49)34(56)42-24(14-47)37(58)46-13-25(50)29(51)28(46)35(57)39-17(3)30(52)40-22(31(53)41-23(32(54)44-26)12-38(5,59)15-48)11-20-19-9-7-8-10-21(19)43-36(20)62(6,60)61/h7-10,16-18,22-29,43,47-51,59H,11-15H2,1-6H3,(H,39,57)(H,40,52)(H,41,53)(H,42,56)(H,44,54)(H,45,55)/t17-,18-,22-,23-,24+,25+,26-,27+,28-,29-,38+/m0/s1
SMILES	CC(C)[C@@H]1NC(=O)[C@H](C[C@@](C)(O)CO)NC(=O)[C@H](CC2=C(S(C)(=O)=O)NC3=C2C=CC=C3)NC(=O)[C@H](C)NC(=O)[C@@H]2[C@@H](O)[C@H](O)CN2C(=O)[C@@H](CO)NC(=O)[C@@H]([C@H](C)O)NC1=O
InChI Key	GGMBQTGHAVBBST-UMJORPRQSA-N

Data and Resources

• Viroidin[2]HTML
  Go to source

• correlation-spectro...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p143.s1389.d6119
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D6119
Version
Author
Maintainer
Language	english
MetadataPublished	2025-10-23T07:00:00.000000Z
Related Molecule

Field	Value
Measurement Technique	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 : 342.9922 K magnetic field strength : 11.74775999581523 Tesla number of scans : 16 scans nuclear magnetic resonance pulse sequence : cosygpppqf Spectral Width : [12.0145931088975, 12.0001698278544] number of data points : [4096, 128] points relaxation time measurement : 1 seconds

Data-Source Molecule ID	Data-Source
J960.501K	Nikkaji
101946744	PubChem
ZINC000255211986	ZINC
The data in this table is sourced from UniChem at EBI.