| SpectraBase Compound ID | 9hUtaDHoGc2 |
|---|---|
| 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-/m1/s1 |
| InChIKey | HEFIYUQVAZFDEE-VLVFSTIYSA-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 | 7iahjFgpCID |
|---|---|
| Name | ERGOCRISTINE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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-/m1/s1 |
| InChIKey | HEFIYUQVAZFDEE-VLVFSTIYSA-N |
| Literature Reference Author | R.G.POWELL,R.D.PLATTNER,S.G.YATES,K.CLAY,A.LEUCHTMANN |
| Literature Reference Citation | J.NAT.PROD.,53,1272(1990) |
| Literature Reference DOI | 10.1021/np50071a021 |
| Molecular Weight | 609.725 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU163 |