| SpectraBase Compound ID | Es0Qvm3Ay90 |
|---|---|
| InChI | InChI=1S/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41) |
| InChIKey | HEFIYUQVAZFDEE-UHFFFAOYSA-N |
| Mol Weight | 609.7 g/mol |
| Molecular Formula | C35H39N5O5 |
| Exact Mass | 609.295119 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1oFdMDGR7WU |
|---|---|
| Name | ERGOCRISTINE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C35H39N5O5 |
| InChI | InChI=1S/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41) |
| InChIKey | HEFIYUQVAZFDEE-UHFFFAOYSA-N |
| Instrument Name | DI |
| Molecular Weight | 609.727 g/mol |
| SMILES | OC12N(C(C(C(C)C)(NC(C3CN(C4Cc5c6c(cccc6C4=C3)[nH]c5)C)=O)O1)=O)C(C(N1CCCC21)=O)Cc1ccccc1 |
| SPLASH | splash10-00xu-6970000000-f521310bef2820ce0c13 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |