Dataset
3a-5a-7a-12a-cholestane-37122627-pentol-26-hydrogen-sulfate-sodium-salt.hsqc
Chemical Info
InChI | InChI=1S/C27H48O8S/c1-16(5-4-6-17(14-28)15-35-36(32,33)34)20-7-8-21-25-22(13-24(31)27(20,21)3)26(2)10-9-19(29)11-18(26)12-23(25)30/h16-25,28-31H,4-15H2,1-3H3,(H,32,33,34)/t16-,17?,18-,19-,20?,21?,22?,23-,24+,25?,26+,27-/m0/s1 |
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SMILES | C[C@@H](CCCC(CO)COS(=O)(=O)O)C1CCC2C3C(C[C@@H](O)[C@]21C)[C@]1(C)CC[C@H](O)C[C@H]1C[C@@H]3O |
InChI Key | KAOLEMQCYWHOJQ-XCQBOXMOSA-N |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.57992/nmrxiv.p47.s267.d1565 |
License URL | https://creativecommons.org/licenses/by/4.0/legalcode |
Source | https://nmrxiv.org/D1565 |
Version | |
Author | Hahn M, von Elert E, Bigler L, Díaz Hernández MD, Schloerer NE. |
Maintainer | |
Language | english |
MetadataCreated | 2024-04-22T16:11:16.602692 |
MetadataModified | 2024-09-23T09:32:12.762213 |
MetadataPublished | 2023-12-26 20:23:47 |
Field | Value |
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Measurement Technique | heteronuclear single quantum coherence |
Measurement Variables |
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Data-Source Molecule ID | Data-Source |
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No additional information available for this Dataset. |