Dataset

Ameriviroisin[7]

Chemical Information

molecular Image
InChI InChI=1S/C38H58N8O17S/c1-16(2)26-34(58)45-27(18(4)51)35(59)42-24(12-47)33(57)46-28(29(53)25(52)13-48)36(60)39-17(3)30(54)40-22(31(55)41-23(32(56)44-26)11-38(61,14-49)15-50)10-20-19-8-6-7-9-21(19)43-37(20)64(5,62)63/h6-9,16-18,22-29,43,47-53,61H,10-15H2,1-5H3,(H,39,60)(H,40,54)(H,41,55)(H,42,59)(H,44,56)(H,45,58)(H,46,57)/t17-,18-,22-,23-,24+,25+,26-,27+,28-,29-/m0/s1
SMILES CC(C)[C@@H]1NC(=O)[C@H](CC(O)(CO)CO)NC(=O)[C@H](CC2=C(S(C)(=O)=O)NC3=CC=CC=C23)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](O)[C@H](O)CO)NC(=O)[C@@H](CO)NC(=O)[C@@H]([C@H](C)O)NC1=O
InChI Key JQKUKOAWUJMWNB-PYPHTBEWSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p143.s1394.d6165
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D6165
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 : Z168766_0001 (CP2.1 TXO 700S4 C/N-H-D-05 Z XT)

Temperature : 352.9978 K

magnetic field strength : 16.414076707401964 Tesla

number of scans : 8 scans

nuclear magnetic resonance pulse sequence : dipsi2etgp

Spectral Width : [9.80050770828486, 9.99999388772317]

number of data points : [4096, 256] points

relaxation time measurement : 1.2 seconds

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