| SpectraBase Compound ID | ChlxrbEk3DQ |
|---|---|
| InChI | InChI=1S/C36H53NO10/c1-8-14-46-35-17-25(44-6)34(40)16-22(26(35)31(34)47-32(39)20-10-12-21(42-4)13-11-20)36-24(43-5)15-23(38)33(19-41-3)18-37(9-2)30(36)27(35)28(45-7)29(33)36/h10-13,22-31,38,40H,8-9,14-19H2,1-7H3/t22-,23-,24+,25+,26-,27?,28+,29-,30?,31-,33+,34+,35-,36+/m1/s1 |
| InChIKey | BURZPDWLQQSFHS-IUUPREEESA-N |
| Mol Weight | 659.8 g/mol |
| Molecular Formula | C36H53NO10 |
| Exact Mass | 659.366947 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C2HqgYVGUYQ |
|---|---|
| Name | 8-DEACETYL-8-O-PROPYL-YUNACONITINE |
| Compound Number | 15 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H53NO10 |
| InChI | InChI=1S/C36H53NO10/c1-8-14-46-35-17-25(44-6)34(40)16-22(26(35)31(34)47-32(39)20-10-12-21(42-4)13-11-20)36-24(43-5)15-23(38)33(19-41-3)18-37(9-2)30(36)27(35)28(45-7)29(33)36/h10-13,22-31,38,40H,8-9,14-19H2,1-7H3/t22-,23-,24+,25+,26-,27?,28+,29-,30?,31-,33+,34+,35-,36+/m1/s1 |
| InChIKey | BURZPDWLQQSFHS-IUUPREEESA-N |
| Literature Reference Author | S.W.PELLETIER,B.S.JOSHI,J.A.GLINSKI,H.P.CHOKSHI,S.CHEN,K.BHA NDARY,K.GO |
| Literature Reference Citation | HETEROCYCLES,25,365(1987) |
| Literature Reference DOI | 10.3987/S-1987-01-0365 |
| Molecular Weight | 659.818 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED5277 |