| SpectraBase Compound ID | 1y6Oga8nc3q |
|---|---|
| InChI | InChI=1S/C33H47NO10/c1-7-34-15-30(16-39-2)20(35)12-21(41-4)33-19-13-31(37)22(42-5)14-32(38,24(27(33)34)25(43-6)26(30)33)23(19)28(31)44-29(36)17-8-10-18(40-3)11-9-17/h8-11,19-28,35,37-38H,7,12-16H2,1-6H3/t19?,20-,21+,22+,23?,24+,25+,26-,27-,28-,30-,31+,32-,33+/m1/s1 |
| InChIKey | DHVYLCVNTWPXSI-LSTVDPJOSA-N |
| Mol Weight | 617.7 g/mol |
| Molecular Formula | C33H47NO10 |
| Exact Mass | 617.319997 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B8CcVvVZe97 |
|---|---|
| Name | 8-DEACETYLUNACONITINE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H47NO10 |
| InChI | InChI=1S/C33H47NO10/c1-7-34-15-30(16-39-2)20(35)12-21(41-4)33-19-13-31(37)22(42-5)14-32(38,24(27(33)34)25(43-6)26(30)33)23(19)28(31)44-29(36)17-8-10-18(40-3)11-9-17/h8-11,19-28,35,37-38H,7,12-16H2,1-6H3/t19?,20-,21+,22+,23?,24+,25+,26-,27-,28-,30-,31+,32-,33+/m1/s1 |
| InChIKey | DHVYLCVNTWPXSI-LSTVDPJOSA-N |
| Literature Reference Author | F.GAO,D.L.CHEN,F.P.WANG |
| Literature Reference Citation | CHEM.PHARM.BULL.,54,117(2006) |
| Literature Reference DOI | 10.1248/cpb.54.117 |
| Molecular Weight | 617.737 g/mol |
| Sample ID | 46107 |
| Solvent | CDCl3 |