| SpectraBase Compound ID | LfmKAC6i3vk |
|---|---|
| InChI | InChI=1S/C33H55NO7/c1-17-5-8-24(34-15-17)18(2)27-25(36)14-23-21-7-6-19-13-20(9-11-32(19,3)22(21)10-12-33(23,27)4)40-31-30(39)29(38)28(37)26(16-35)41-31/h6,17-18,20-31,34-39H,5,7-16H2,1-4H3/t17?,18-,20?,21?,22?,23?,24-,25-,26-,27?,28-,29+,30-,31-,32?,33?/m1/s1 |
| InChIKey | LXITVHCOOLDNBB-ZAXNCPNHSA-N |
| Mol Weight | 577.8 g/mol |
| Molecular Formula | C33H55NO7 |
| Exact Mass | 577.397853 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3gEHQyR3ajU |
|---|---|
| Name | Capsimine-3-O-.beta.-d-glucopyranoside |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H55NO7 |
| InChI | InChI=1S/C33H55NO7/c1-17-5-8-24(34-15-17)18(2)27-25(36)14-23-21-7-6-19-13-20(9-11-32(19,3)22(21)10-12-33(23,27)4)40-31-30(39)29(38)28(37)26(16-35)41-31/h6,17-18,20-31,34-39H,5,7-16H2,1-4H3/t17?,18-,20?,21?,22?,23?,24-,25-,26-,27?,28-,29+,30-,31-,32?,33?/m1/s1 |
| InChIKey | LXITVHCOOLDNBB-ZAXNCPNHSA-N |
| Molecular Weight | 577.803 g/mol |
| SMILES | O[C@]1([C@@]([C@](O[C@]([C@@]1(O)[H])(OC1CCC2(C3CCC4(C(C3CC=C2C1)C[C@](C4[C@@]([C@@]1(NCC(CC1)C)[H])(C)[H])(O)[H])C)C)[H])(CO)[H])(O)[H])[H] |
| SPLASH | splash10-0002-9302050000-971d89af016719495281 |
| Source of Spectrum | X2-56-20-1 |
| Wiley ID | 1604708 |