Dataset
two-dimensional nuclear magnetic resonance spectroscopy (2D NMR)
Chemical Info
InChI | InChI=1S/C26H36O3/c1-24-13-10-20(29-17-18-6-4-3-5-7-18)16-19(24)8-9-22-21(24)11-14-25(2)23(27)12-15-26(22,25)28/h3-7,19-22,28H,8-17H2,1-2H3/t19-,20-,21-,22+,24-,25+,26-/m0/s1 |
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SMILES | O=C1CC[C@]2([C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC[C@@H](C2)OCc1ccccc1)O |
InChI Key | RWAJZRJQGGJQFL-SIGVLJBRSA-N |
Molecular Formula | C26H36O3 |
Exact Mass | 396.562 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/RWAJZRJQGGJQFL-SIGVLJBRSA-N/CHMO0000598.1 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/RWAJZRJQGGJQFL-SIGVLJBRSA-N/CHMO0000598.1 |
Version | |
Author | Sarah Al Muthafer |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T07:48:10.113388 |
MetadataModified | 2024-09-07T23:36:39.188545 |
MetadataPublished | 2022-10-11 |
Field | Value |
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Measurement Technique | two-dimensional nuclear magnetic resonance spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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165369097 | PubChem |
The data in this table is sourced from UniChem at EBI. |