Dataset

Ameriphalloidin[3]

Chemical Information

InChI	InChI=1S/C37H52N8O11S/c1-16(2)27-33(53)44-28(18(4)47)34(54)41-25-14-57-35-21(20-8-6-7-9-22(20)42-35)11-23(30(50)40-24(31(51)43-27)12-37(5,56)15-46)39-29(49)17(3)38-32(52)26-10-19(48)13-45(26)36(25)55/h6-9,16-19,23-28,42,46-48,56H,10-15H2,1-5H3,(H,38,52)(H,39,49)(H,40,50)(H,41,54)(H,43,51)(H,44,53)/t17-,18-,19-,23-,24-,25-,26-,27-,28+,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](C)O)NC1=O)C(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H](C)C(=O)N2
InChI Key	YHHBMMBBNSQBRT-QEBWYSJASA-N

Data and Resources

• Ameriphalloidin[3]HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p143.s1388.d6113
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D6113
Version
Author
Maintainer
Language	english
MetadataPublished	2025-10-23T07:00:00.000000Z
Related Molecule

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	NMR solvent : DMSO acquisition nucleus : ['1H', '13C'] NMR spectrum by dimensionality : 2 NMR probe : Z168766_0001 (CP2.1 TXO 700S4 C/N-H-D-05 Z XT) Temperature : 358.0011 K magnetic field strength : 16.414076707401964 Tesla number of scans : 4 scans nuclear magnetic resonance pulse sequence : hsqcedetgpsp.3 Spectral Width : [11.7284647093775, 190.06273880844] number of data points : [4096, 204] points relaxation time measurement : 1.5 seconds

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