| SpectraBase Compound ID | 5Lcag1GYfHR |
|---|---|
| InChI | InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24+,27-,28-,31-/m1/s1 |
| InChIKey | QEVHRUUCFGRFIF-JBMWZDAXSA-N |
| Mol Weight | 608.7 g/mol |
| Molecular Formula | C33H40N2O9 |
| Exact Mass | 608.273381 g/mol |
15N Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ATFjHWW1KH5 |
|---|---|
| Name | ISORESERPINE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H40N2O9 |
| InChI | InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24+,27-,28-,31-/m1/s1 |
| InChIKey | QEVHRUUCFGRFIF-JBMWZDAXSA-N |
| Literature Reference Author | S.N.Y.FANSO-FEE,G.T.FURST,P.R.SRINIVASAN,R.L.LICHTER,R.B.NEL SON,J.A.PANETTA,G.W. |
| Literature Reference Citation | J.AM.CHEM.SOC.,101,1549(1979) |
| Literature Reference DOI | 10.1021/ja00500a030 |
| Solvent | CDCl3 |
| Source File Reference | UWMZ15408 |