| SpectraBase Compound ID | CMfVDHTsTQn |
|---|---|
| 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)/t23-,27?,28?,29?,34-,35+/m0/s1 |
| InChIKey | HEFIYUQVAZFDEE-AIFSIBFPSA-N |
| Mol Weight | 609.7 g/mol |
| Molecular Formula | C35H39N5O5 |
| Exact Mass | 609.295119 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GBIlvwu9YTx |
|---|---|
| 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)/t23-,27?,28?,29?,34-,35+/m0/s1 |
| InChIKey | HEFIYUQVAZFDEE-AIFSIBFPSA-N |
| Instrument Name | Jeol FX-60 |
| Literature Reference | J.STUCHLIK, A.KRAJICEK, L.CVAK, J.SPACIL, P.SEDMERA, M.FLIEGER, J.VOKOUN,Z.REHACEK (1982) Coll.Czech.Chem.Comm.: v.47, N12, 3312-3317. |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 chloroform-d |