| SpectraBase Compound ID | 8apIlrzWM4z |
|---|---|
| InChI | InChI=1S/C28H47NO5/c1-16(30)20-10-13-28(31)22-7-6-18-14-19(34-24-15-23(32-5)25(29)17(2)33-24)8-11-26(18,3)21(22)9-12-27(20,28)4/h17-25,31H,6-15,29H2,1-5H3/t17?,18?,19-,20?,21+,22-,23?,24?,25?,26+,27-,28+/m1/s1 |
| InChIKey | XNPZZOKPHOMJPJ-PTPMYGEQSA-N |
| Mol Weight | 477.7 g/mol |
| Molecular Formula | C28H47NO5 |
| Exact Mass | 477.345424 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GGdlnAWWyvI |
|---|---|
| Name | 17-epi-N-demethyl-holacurtine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H47NO5 |
| InChI | InChI=1S/C28H47NO5/c1-16(30)20-10-13-28(31)22-7-6-18-14-19(34-24-15-23(32-5)25(29)17(2)33-24)8-11-26(18,3)21(22)9-12-27(20,28)4/h17-25,31H,6-15,29H2,1-5H3/t17?,18?,19-,20?,21+,22-,23?,24?,25?,26+,27-,28+/m1/s1 |
| InChIKey | XNPZZOKPHOMJPJ-PTPMYGEQSA-N |
| Molecular Weight | 477.686 g/mol |
| SMILES | NC1C(OC(O[C@@]2(CC[C@@]3([C@]4(CC[C@]5([C@](CCC5C(=O)C)([C@@]4(CCC3C2)[H])O)C)[H])C)[H])CC1OC)C |
| SPLASH | splash10-066s-0098000000-cc73eedba7aca5fda060 |
| Source of Spectrum | G4-61-1335-4 |
| Wiley ID | 1607493 |