| SpectraBase Compound ID | 8MJLL0ty7lY |
|---|---|
| InChI | InChI=1S/C34H46N2O10/c1-7-36-29-33-20-14-19-22(42-3)15-32(40,24(20)25(19)44-5)34(29,41)27(45-6)26(33)31(30(36)39,13-12-23(33)43-4)16-46-28(38)18-10-8-9-11-21(18)35-17(2)37/h8-11,19-20,22-27,29,40-41H,7,12-16H2,1-6H3,(H,35,37)/t19-,20?,22+,23+,24?,25+,26?,27+,29?,31+,32-,33+,34+/m1/s1 |
| InChIKey | WFUBGLVWVHZFQV-BHQKBAKBSA-N |
| Mol Weight | 642.7 g/mol |
| Molecular Formula | C34H46N2O10 |
| Exact Mass | 642.315246 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1AbcSybdi8P |
|---|---|
| Name | 19-oxo-ajacine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H46N2O10 |
| InChI | InChI=1S/C34H46N2O10/c1-7-36-29-33-20-14-19-22(42-3)15-32(40,24(20)25(19)44-5)34(29,41)27(45-6)26(33)31(30(36)39,13-12-23(33)43-4)16-46-28(38)18-10-8-9-11-21(18)35-17(2)37/h8-11,19-20,22-27,29,40-41H,7,12-16H2,1-6H3,(H,35,37)/t19-,20?,22+,23+,24?,25+,26?,27+,29?,31+,32-,33+,34+/m1/s1 |
| InChIKey | WFUBGLVWVHZFQV-BHQKBAKBSA-N |
| Molecular Weight | 642.746 g/mol |
| SMILES | N(c1c(C(OC[C@@]23C(N(C4[C@@]5(C6C[C@]7([C@@](C6[C@@]([C@@]4([C@](C35)(OC)[H])O)(C[C@@]7(OC)[H])O)(OC)[H])[H])[C@](CC2)(OC)[H])CC)=O)=O)cccc1)C(=O)C |
| SPLASH | splash10-006x-9400000000-d8dd8d1b952db3fd05dd |
| Source of Spectrum | X2-54-1286-9 |
| Wiley ID | 1604223 |