| SpectraBase Compound ID | CnMs3wLJc3b |
|---|---|
| InChI | InChI=1S/C47H73NO9/c1-7-8-9-10-11-12-13-14-15-16-17-18-22-25-36(49)57-46-29-35(54-5)45(51)28-33(37(46)42(45)56-43(50)32-23-20-19-21-24-32)47-34(53-4)26-27-44(31-52-3)30-48(2)41(47)38(46)39(55-6)40(44)47/h19-21,23-24,33-35,37-42,51H,7-18,22,25-31H2,1-6H3/t33?,34?,35-,37?,38?,39?,40?,41?,42?,44-,45-,46+,47?/m0/s1 |
| InChIKey | SWIRNXCGPWWORI-ISRUPDIYSA-N |
| Mol Weight | 796.1 g/mol |
| Molecular Formula | C47H73NO9 |
| Exact Mass | 795.528533 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8Ypj3ZQL7wb |
|---|---|
| Name | 14-Benzoyl-Delphonine-8-Palmitate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C47H73NO9 |
| InChI | InChI=1S/C47H73NO9/c1-7-8-9-10-11-12-13-14-15-16-17-18-22-25-36(49)57-46-29-35(54-5)45(51)28-33(37(46)42(45)56-43(50)32-23-20-19-21-24-32)47-34(53-4)26-27-44(31-52-3)30-48(2)41(47)38(46)39(55-6)40(44)47/h19-21,23-24,33-35,37-42,51H,7-18,22,25-31H2,1-6H3/t33?,34?,35-,37?,38?,39?,40?,41?,42?,44-,45-,46+,47?/m0/s1 |
| InChIKey | SWIRNXCGPWWORI-ISRUPDIYSA-N |
| Molecular Weight | 796.099 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)CCCCCCCCCCCCCCC)(OC)[H] |
| SPLASH | splash10-0006-9030010000-8163f3f9c7e67914caea |
| Source of Spectrum | X2-57-968-10 |
| Wiley ID | 1605579 |