| SpectraBase Compound ID | 9YxuBldPsvI |
|---|---|
| InChI | InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19?,20-,21?,22+,23-,24+,25+,26-,27?,28?,29?,31-,32+,33-,34-/m0/s1 |
| InChIKey | XFSBVAOIAHNAPC-CUAPYNSLSA-N |
| Mol Weight | 645.7 g/mol |
| Molecular Formula | C34H47NO11 |
| Exact Mass | 645.314911 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7yHjqlzyPuR |
|---|---|
| Name | ACOTININE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C34H47NO11 |
| InChI | InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19?,20-,21?,22+,23-,24+,25+,26-,27?,28?,29?,31-,32+,33-,34-/m0/s1 |
| InChIKey | XFSBVAOIAHNAPC-CUAPYNSLSA-N |
| Instrument Name | DI |
| Molecular Weight | 645.746 g/mol |
| SMILES | O[C@@]12C(C([C@@]3([C@](C([C@@]45[C@@]6([C@@]3([C@]([C@@]4([C@]([C@](CC5OC)(O)[H])(COC)CN6CC)[H])(OC)[H])[H])[H])C2)(C1OC(=O)c1ccccc1)[H])OC(C)=O)O)OC |
| SPLASH | splash10-0a4i-4921160000-d3bc9b6b20567e17327f |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |