Dataset
distortionless enhancement with polarization transfer (DEPT)
Chemical Info
InChI | InChI=1S/C39H45NO7/c1-39(2,3)47-38(41)40-34-36(44-26-31-20-12-6-13-21-31)35(43-25-30-18-10-5-11-19-30)33(28-42-24-29-16-8-4-9-17-29)46-37(34)45-27-32-22-14-7-15-23-32/h4-23,33-37H,24-28H2,1-3H3,(H,40,41)/t33-,34-,35-,36-,37?/m1/s1 |
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SMILES | O=C(OC(C)(C)C)N[C@H]1C(OCc2ccccc2)O[C@@H]([C@H]([C@@H]1OCc1ccccc1)OCc1ccccc1)COCc1ccccc1 |
InChI Key | OLEMKOKVXHTHBC-VXERKMLKSA-N |
Molecular Formula | C39H45NO7 |
Exact Mass | 639.777 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/OLEMKOKVXHTHBC-VXERKMLKSA-N/DEPT/90 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/OLEMKOKVXHTHBC-VXERKMLKSA-N/DEPT/90 |
Version | |
Author | Benjamin Goerling |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T23:24:24.971576 |
MetadataModified | 2024-09-07T12:32:56.850795 |
MetadataPublished | 2014-05-27 |
Field | Value |
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Measurement Technique | distortionless enhancement with polarization transfer |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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124390502 | PubChem: Thomson Pharma |
53254763 | PubChem |
The data in this table is sourced from UniChem at EBI. |