| SpectraBase Compound ID | 7qbBtz0a8PV |
|---|---|
| InChI | InChI=1S/C53H86O24/c1-48(2)16-22-21-8-9-27-50(4)12-11-28(73-47-40(34(63)33(62)39(75-47)43(68)69)76-46-36(65)32(61)30(59)25(18-55)72-46)51(5,20-56)26(50)10-13-53(27,7)52(21,6)15-14-49(22,3)42(41(48)67)77-44-37(66)38(23(57)19-70-44)74-45-35(64)31(60)29(58)24(17-54)71-45/h8,22-42,44-47,54-67H,9-20H2,1-7H3,(H,68,69)/t22?,23-,24+,25-,26?,27?,28+,29+,30+,31-,32+,33+,34+,35+,36-,37+,38-,39+,40-,41+,42-,44-,45-,46+,47-,49-,50+,51-,52-,53-/m1/s1 |
| InChIKey | QSWYVJWAKZGGIL-PAQUYMHWSA-N |
| Mol Weight | 1107.2 g/mol |
| Molecular Formula | C53H86O24 |
| Exact Mass | 1106.550904 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3EwwyDygIYg |
|---|---|
| Name | SOYASAPONIN-A2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H86O24 |
| InChI | InChI=1S/C53H86O24/c1-48(2)16-22-21-8-9-27-50(4)12-11-28(73-47-40(34(63)33(62)39(75-47)43(68)69)76-46-36(65)32(61)30(59)25(18-55)72-46)51(5,20-56)26(50)10-13-53(27,7)52(21,6)15-14-49(22,3)42(41(48)67)77-44-37(66)38(23(57)19-70-44)74-45-35(64)31(60)29(58)24(17-54)71-45/h8,22-42,44-47,54-67H,9-20H2,1-7H3,(H,68,69)/t22?,23-,24+,25-,26?,27?,28+,29+,30+,31-,32+,33+,34+,35+,36-,37+,38-,39+,40-,41+,42-,44-,45-,46+,47-,49-,50+,51-,52-,53-/m1/s1 |
| InChIKey | QSWYVJWAKZGGIL-PAQUYMHWSA-N |
| Literature Reference Author | I.KITAGAWA,M.SAITO,T.TANIYAMA,M.YOSHIKAWA |
| Literature Reference Citation | CHEM.PHARM.BULL.,33,598(1985) |
| Literature Reference DOI | 10.1248/cpb.33.598 |
| Molecular Weight | 1107.251 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK205 |