![RETRONECINE_2S-HYDROXY-2S-(1S-HYDROXYETHYL)-2S-[(1'S-HYDROXYETHYL)-4-METHYL-PENTANOYL]-4-METHYL-PENTANOYL_ESTER](/api/spectrum/6vMzSPLCl9J/structure.png?h=300&w=458 "RETRONECINE_2S-HYDROXY-2S-(1S-HYDROXYETHYL)-2S-[(1'S-HYDROXYETHYL)-4-METHYL-PENTANOYL]-4-METHYL-PENTANOYL_ESTER")
| SpectraBase Compound ID | 9xJO5ds91Nj |
|---|---|
| InChI | InChI=1S/C24H41NO8/c1-14(2)11-23(31,16(5)26)21(29)33-24(17(6)27,12-15(3)4)22(30)32-13-18-7-9-25-10-8-19(28)20(18)25/h7,14-17,19-20,26-28,31H,8-13H2,1-6H3/t16-,17-,19+,20+,23-,24-/m0/s1 |
| InChIKey | LPPLEGZMMDYART-QDDKKTQLSA-N |
| Mol Weight | 471.6 g/mol |
| Molecular Formula | C24H41NO8 |
| Exact Mass | 471.283217 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6vMzSPLCl9J |
|---|---|
| Name | RETRONECINE_2S-HYDROXY-2S-(1S-HYDROXYETHYL)-2S-[(1'S-HYDROXYETHYL)-4-METHYL-PENTANOYL]-4-METHYL-PENTANOYL_ESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H41NO8 |
| InChI | InChI=1S/C24H41NO8/c1-14(2)11-23(31,16(5)26)21(29)33-24(17(6)27,12-15(3)4)22(30)32-13-18-7-9-25-10-8-19(28)20(18)25/h7,14-17,19-20,26-28,31H,8-13H2,1-6H3/t16-,17-,19+,20+,23-,24-/m0/s1 |
| InChIKey | LPPLEGZMMDYART-QDDKKTQLSA-N |
| Literature Reference Author | A.BRACA,A.BADER,T.SICILIANO,I.MORELLI,N.DE_TOMMASI |
| Literature Reference Citation | PLANTA.MED.,69,835(2003) |
| Literature Reference DOI | 10.1055/s-2003-43202 |
| Molecular Weight | 471.591 g/mol |
| Solvent | CD3OD |
| Source File Reference | UIAP2030 |