| SpectraBase Compound ID | JuLGvP88J6p |
|---|---|
| InChI | InChI=1S/C50H80O24/c1-19-11-30(55)50(66-17-19)20(2)31-26(74-50)13-49(64)24-6-5-21-12-22(7-9-47(21,3)23(24)8-10-48(31,49)4)67-44-39(63)36(60)40(29(16-53)70-44)71-46-42(73-45-38(62)35(59)33(57)27(14-51)68-45)41(34(58)28(15-52)69-46)72-43-37(61)32(56)25(54)18-65-43/h5,19-20,22-46,51-64H,6-18H2,1-4H3/t19-,20+,22+,23+,24-,25-,26+,27+,28+,29-,30+,31+,32+,33+,34+,35-,36-,37-,38+,39-,40+,41-,42+,43+,44-,45-,46-,47+,48-,49-,50+/m1/s1 |
| InChIKey | QURPLLAPNURGHG-ZBEFSDSESA-N |
| Mol Weight | 1065.2 g/mol |
| Molecular Formula | C50H80O24 |
| Exact Mass | 1064.503953 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KkfqXBatthc |
|---|---|
| Name | SIBIRICOSIDE-B;PS-IV |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H80O24 |
| InChI | InChI=1S/C50H80O24/c1-19-11-30(55)50(66-17-19)20(2)31-26(74-50)13-49(64)24-6-5-21-12-22(7-9-47(21,3)23(24)8-10-48(31,49)4)67-44-39(63)36(60)40(29(16-53)70-44)71-46-42(73-45-38(62)35(59)33(57)27(14-51)68-45)41(34(58)28(15-52)69-46)72-43-37(61)32(56)25(54)18-65-43/h5,19-20,22-46,51-64H,6-18H2,1-4H3/t19-,20+,22+,23+,24-,25-,26+,27+,28+,29-,30+,31+,32+,33+,34+,35-,36-,37-,38+,39-,40+,41-,42+,43+,44-,45-,46-,47+,48-,49-,50+/m1/s1 |
| InChIKey | QURPLLAPNURGHG-ZBEFSDSESA-N |
| Literature Reference Author | K.H.SON,J.C.DO,S.S.KANG |
| Literature Reference Citation | J.NAT.PROD.,53,333(1990) |
| Literature Reference DOI | 10.1021/np50068a010 |
| Molecular Weight | 1065.171 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWED17530 |