SpectraBase Compound ID | 7B5hr8AcQfL |
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InChI | InChI=1S/C23H26O7S/c24-23-17-3-1-2-4-21(17)31-22-16-20-19(15-18(22)23)29-13-11-27-9-7-25-5-6-26-8-10-28-12-14-30-20/h1-4,15-16H,5-14H2 |
InChIKey | AGDMFBWFEGFCJY-UHFFFAOYSA-N |
Mol Weight | 446.51 g/mol |
Molecular Formula | C23H26O7S |
Exact Mass | 446.139924 g/mol |
SpectraBase Spectrum ID | 5kFxreMlKdE |
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Name | 2,3,5,6,8,9,11,12,14,15-Decahydro-23H-thioxantheno[2,3-b][1,4,7,10,13,16]hexaoxacyclooctadecin-23-one |
Appearance | Yellow crystals |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C23H26O7S |
InChI | InChI=1S/C23H26O7S/c24-23-17-3-1-2-4-21(17)31-22-16-20-19(15-18(22)23)29-13-11-27-9-7-25-5-6-26-8-10-28-12-14-30-20/h1-4,15-16H,5-14H2 |
InChIKey | AGDMFBWFEGFCJY-UHFFFAOYSA-N |
Ionization Type | EI |
Literature Reference DOI | 10.3998/ark.5550190.0008.d01 |
Molecular Weight | 446.514 g/mol |
SMILES | c12cc3C(c4ccccc4Sc3cc1OCCOCCOCCOCCOCCO2)=O |
SPLASH | splash10-0ac0-9040000000-cf3d4571ca3eaac2206e |
Source of Spectrum | ARK-2007-6-3d |
Wiley ID | 1868829 |