| SpectraBase Compound ID | J5nGtvNnq7o |
|---|---|
| InChI | InChI=1S/C67H108O31/c1-26(70)18-39(74)88-27(2)19-40(75)93-52-30(5)91-60(54(49(52)84)96-58-48(83)45(80)51(29(4)90-58)94-56-50(85)53(34(72)24-87-56)95-57-46(81)43(78)41(76)28(3)89-57)98-61(86)67-17-16-62(6,7)20-32(67)31-12-13-37-63(8)21-33(71)55(97-59-47(82)44(79)42(77)35(23-68)92-59)64(9,25-69)36(63)14-15-65(37,10)66(31,11)22-38(67)73/h12,26-30,32-38,41-60,68-73,76-85H,13-25H2,1-11H3/t26?,27?,28-,29+,30-,32?,33+,34+,35-,36?,37?,38-,41-,42-,43+,44+,45+,46+,47-,48-,49+,50+,51+,52+,53-,54-,55+,56-,57-,58+,59+,60+,63+,64+,65-,66-,67-/m1/s1 |
| InChIKey | FYGIGJNSOCWSHI-VBTLYNOXSA-N |
| Mol Weight | 1409.6 g/mol |
| Molecular Formula | C67H108O31 |
| Exact Mass | 1408.687457 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D014n2YW46P |
|---|---|
| Name | SOLIDAGOSAPONIN_XVIII |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C67H108O31 |
| InChI | InChI=1S/C67H108O31/c1-26(70)18-39(74)88-27(2)19-40(75)93-52-30(5)91-60(54(49(52)84)96-58-48(83)45(80)51(29(4)90-58)94-56-50(85)53(34(72)24-87-56)95-57-46(81)43(78)41(76)28(3)89-57)98-61(86)67-17-16-62(6,7)20-32(67)31-12-13-37-63(8)21-33(71)55(97-59-47(82)44(79)42(77)35(23-68)92-59)64(9,25-69)36(63)14-15-65(37,10)66(31,11)22-38(67)73/h12,26-30,32-38,41-60,68-73,76-85H,13-25H2,1-11H3/t26?,27?,28-,29+,30-,32?,33+,34+,35-,36?,37?,38-,41-,42-,43+,44+,45+,46+,47-,48-,49+,50+,51+,52+,53-,54-,55+,56-,57-,58+,59+,60+,63+,64+,65-,66-,67-/m1/s1 |
| InChIKey | FYGIGJNSOCWSHI-VBTLYNOXSA-N |
| Literature Reference Author | G.BADER,V.WRAY,K.HILLER |
| Literature Reference Citation | PLANTA.MED.,61,158(1995) |
| Literature Reference DOI | 10.1055/s-2006-958038 |
| Molecular Weight | 1409.576 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UIAP674 |