| SpectraBase Compound ID | JYaWSqSZpep |
|---|---|
| InChI | InChI=1S/C43H68O24/c1-40-6-3-7-41(2,39(59)66-37-32(58)29(55)25(51)18(13-46)62-37)20(40)4-8-42-10-22(48)43(15-42,9-5-21(40)42)67-38-34(65-36-31(57)28(54)24(50)17(12-45)61-36)33(26(52)19(14-47)63-38)64-35-30(56)27(53)23(49)16(11-44)60-35/h16-21,23-38,44-47,49-58H,3-15H2,1-2H3/t16-,17+,18+,19-,20-,21-,23-,24+,25+,26-,27+,28-,29-,30-,31+,32+,33+,34-,35+,36-,37-,38+,40?,41+,42+,43-/m0/s1 |
| InChIKey | XAGZJJSDJMIPLY-SBYHHZPUSA-N |
| Mol Weight | 969.0 g/mol |
| Molecular Formula | C43H68O24 |
| Exact Mass | 968.410053 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kl969tCT3Kj |
|---|---|
| Name | REB-A-KETONE |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H68O24 |
| InChI | InChI=1S/C43H68O24/c1-40-6-3-7-41(2,39(59)66-37-32(58)29(55)25(51)18(13-46)62-37)20(40)4-8-42-10-22(48)43(15-42,9-5-21(40)42)67-38-34(65-36-31(57)28(54)24(50)17(12-45)61-36)33(26(52)19(14-47)63-38)64-35-30(56)27(53)23(49)16(11-44)60-35/h16-21,23-38,44-47,49-58H,3-15H2,1-2H3/t16-,17+,18+,19-,20-,21-,23-,24+,25+,26-,27+,28-,29-,30-,31+,32+,33+,34-,35+,36-,37-,38+,40?,41+,42+,43-/m0/s1 |
| InChIKey | XAGZJJSDJMIPLY-SBYHHZPUSA-N |
| Literature Reference Author | M.UPRETI,G.DUBOIS,I.PRAKASH |
| Literature Reference Citation | MOLECULES,17,4186(2012) |
| Literature Reference DOI | 10.3390/molecules17044186 |
| Molecular Weight | 968.999 g/mol |
| Sample ID | 1712 |
| Solvent | Unknown |