Dataset

O_acetyl_phallacidin[14]

Chemical Information

InChI	InChI=1S/C40H53N7O14S/c1-17(2)29-36(55)46-30(31(39(58)59)61-19(4)49)37(56)44-26-15-62-28-10-20-8-6-7-9-22(20)23(28)12-24(33(52)43-25(34(53)45-29)13-40(5,60)16-48)42-32(51)18(3)41-35(54)27-11-21(50)14-47(27)38(26)57/h6-9,17-18,21,24-27,29-31,48,50,60H,10-16H2,1-5H3,(H,41,54)(H,42,51)(H,43,52)(H,44,56)(H,45,53)(H,46,55)(H,58,59)/t18-,21-,24-,25-,26-,27-,29-,30+,31+,40+/m0/s1
SMILES	CC(=O)O[C@@H](C(=O)O)[C@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H](C[C@@](C)(O)CO)NC(=O)[C@@H]2CC3=C(CC4=C3C=CC=C4)SC[C@H](NC1=O)C(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H](C)C(=O)N2
InChI Key	SEJDHXSNDMXXIB-JGWRIINFSA-N

Data and Resources

• O_acetyl_phallacidin[14]HTML
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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p143.s1400.d6206
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D6206
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', '15N'] NMR spectrum by dimensionality : 2 NMR probe : Z168766_0001 (CP2.1 TXO 700S4 C/N-H-D-05 Z XT) Temperature : 342.9988 K magnetic field strength : 16.410788584089996 Tesla number of scans : 16 scans nuclear magnetic resonance pulse sequence : hsqcetf3gp Spectral Width : [11.7308146658117, 140.035130502112] number of data points : [2048, 64] points relaxation time measurement : 1 seconds

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