| SpectraBase Compound ID | 831jUeNEoNb |
|---|---|
| InChI | InChI=1S/C34H47NO9/c1-7-23(36)44-33-16-22(41-5)32(38)15-20(24(33)29(32)43-30(37)19-11-9-8-10-12-19)34-21(40-4)13-14-31(18-39-3)17-35(2)28(34)25(33)26(42-6)27(31)34/h8-12,20-22,24-29,38H,7,13-18H2,1-6H3/t20?,21?,22-,24?,25?,26?,27?,28?,29?,31-,32-,33+,34?/m0/s1 |
| InChIKey | ZWRPWLJQCUNEQE-HCUYUPLYSA-N |
| Mol Weight | 613.7 g/mol |
| Molecular Formula | C34H47NO9 |
| Exact Mass | 613.325082 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KqIcPMnNU1s |
|---|---|
| Name | 14-Benzoyl-Delphonine-8-Propionate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H47NO9 |
| InChI | InChI=1S/C34H47NO9/c1-7-23(36)44-33-16-22(41-5)32(38)15-20(24(33)29(32)43-30(37)19-11-9-8-10-12-19)34-21(40-4)13-14-31(18-39-3)17-35(2)28(34)25(33)26(42-6)27(31)34/h8-12,20-22,24-29,38H,7,13-18H2,1-6H3/t20?,21?,22-,24?,25?,26?,27?,28?,29?,31-,32-,33+,34?/m0/s1 |
| InChIKey | ZWRPWLJQCUNEQE-HCUYUPLYSA-N |
| Molecular Weight | 613.748 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)CC)(OC)[H] |
| SPLASH | splash10-0a4i-0900080000-fe170c758613c86c2812 |
| Source of Spectrum | X2-57-969-12 |
| Wiley ID | 1605577 |