| SpectraBase Compound ID | KKPbIPu4565 |
|---|---|
| InChI | InChI=1S/C49H77NO9/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-38(51)59-48-31-37(56-5)47(53)30-35(39(48)44(47)58-45(52)34-25-22-21-23-26-34)49-36(55-4)28-29-46(33-54-3)32-50(2)43(49)40(48)41(57-6)42(46)49/h21-23,25-26,35-37,39-44,53H,7-20,24,27-33H2,1-6H3/t35?,36?,37-,39?,40?,41?,42?,43?,44?,46-,47-,48+,49?/m0/s1 |
| InChIKey | QDITWALJISYDOH-GREMYVNKSA-N |
| Mol Weight | 824.2 g/mol |
| Molecular Formula | C49H77NO9 |
| Exact Mass | 823.559833 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IRMNgl4vgAw |
|---|---|
| Name | 14-Benzoyl-Delphonine-8-Stearate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C49H77NO9 |
| InChI | InChI=1S/C49H77NO9/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-38(51)59-48-31-37(56-5)47(53)30-35(39(48)44(47)58-45(52)34-25-22-21-23-26-34)49-36(55-4)28-29-46(33-54-3)32-50(2)43(49)40(48)41(57-6)42(46)49/h21-23,25-26,35-37,39-44,53H,7-20,24,27-33H2,1-6H3/t35?,36?,37-,39?,40?,41?,42?,43?,44?,46-,47-,48+,49?/m0/s1 |
| InChIKey | QDITWALJISYDOH-GREMYVNKSA-N |
| Molecular Weight | 824.153 g/mol |
| SMILES | O[C@]12[C@](C[C@@]3(C4C5N(C[C@]6(C(C4OC)C5(C(C3C2OC(=O)c2ccccc2)C1)C(CC6)OC)COC)C)OC(=O)CCCCCCCCCCCCCCCCC)(OC)[H] |
| SPLASH | splash10-052f-9420010000-30b0bec183d2546679df |
| Source of Spectrum | X2-57-968-11 |
| Wiley ID | 1605578 |