| SpectraBase Compound ID | JQ2b1GkYxEu |
|---|---|
| InChI | InChI=1S/C55H86O21/c1-25-48(58)37(60-8)18-44(66-25)75-52-29(5)69-45(20-39(52)62-10)73-49-26(2)67-42(17-34(49)56)74-50-28(4)70-46(21-40(50)63-11)76-51-27(3)68-43(19-38(51)61-9)71-36-16-31-13-14-32-33(54(31,6)22-35(36)57)15-12-30-23-64-55(7)47(30)41(24-65-55)72-53(32)59/h13,23,25-29,32-52,56-58H,12,14-22,24H2,1-11H3/t25-,26-,27+,28+,29-,32-,33+,34+,35-,36-,37+,38-,39+,40-,41-,42+,43-,44-,45+,46+,47-,48-,49-,50-,51+,52-,54+,55+/m1/s1 |
| InChIKey | HHJIWAUPVPPOGJ-RPAIOHSSSA-N |
| Mol Weight | 1083.3 g/mol |
| Molecular Formula | C55H86O21 |
| Exact Mass | 1082.56616 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | titDxd1j5r |
|---|---|
| Name | SUBLANCEOSIDE-K2 |
| Compound Number | 30 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H86O21 |
| InChI | InChI=1S/C55H86O21/c1-25-48(58)37(60-8)18-44(66-25)75-52-29(5)69-45(20-39(52)62-10)73-49-26(2)67-42(17-34(49)56)74-50-28(4)70-46(21-40(50)63-11)76-51-27(3)68-43(19-38(51)61-9)71-36-16-31-13-14-32-33(54(31,6)22-35(36)57)15-12-30-23-64-55(7)47(30)41(24-65-55)72-53(32)59/h13,23,25-29,32-52,56-58H,12,14-22,24H2,1-11H3/t25-,26-,27+,28+,29-,32-,33+,34+,35-,36-,37+,38-,39+,40-,41-,42+,43-,44-,45+,46+,47-,48-,49-,50-,51+,52-,54+,55+/m1/s1 |
| InChIKey | HHJIWAUPVPPOGJ-RPAIOHSSSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,54,1551(2006) |
| Literature Reference DOI | 10.1248/cpb.54.1551 |
| Molecular Weight | 1083.275 g/mol |
| Sample ID | 55395 |
| Solvent | C5D5N |