| SpectraBase Compound ID | 1Q4AUqR0uU |
|---|---|
| InChI | InChI=1S/C42H68O14/c1-37(2)13-15-42(36(51)52)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(39(4,20-45)25(38)9-12-41(26,40)6)55-35-33(31(49)29(47)24(19-44)54-35)56-34-32(50)30(48)28(46)23(18-43)53-34/h7,22-35,43-50H,8-20H2,1-6H3,(H,51,52)/t22?,23-,24-,25?,26?,27?,28-,29-,30+,31+,32-,33-,34?,35+,38+,39-,40-,41-,42?/m1/s1 |
| InChIKey | WCMJLEULXWUCRF-BLNGNUTMSA-N |
| Mol Weight | 797.0 g/mol |
| Molecular Formula | C42H68O14 |
| Exact Mass | 796.460907 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Elh3TxtMAx2 |
|---|---|
| Name | SAPONIN_4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O14 |
| InChI | InChI=1S/C42H68O14/c1-37(2)13-15-42(36(51)52)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(39(4,20-45)25(38)9-12-41(26,40)6)55-35-33(31(49)29(47)24(19-44)54-35)56-34-32(50)30(48)28(46)23(18-43)53-34/h7,22-35,43-50H,8-20H2,1-6H3,(H,51,52)/t22?,23-,24-,25?,26?,27?,28-,29-,30+,31+,32-,33-,34?,35+,38+,39-,40-,41-,42?/m1/s1 |
| InChIKey | WCMJLEULXWUCRF-BLNGNUTMSA-N |
| Literature Reference Author | H.M.ZHONG,C.X.CHEN,X.TIAN,Y.X.CHUI,Y.Z.CHEN |
| Literature Reference Citation | PLANTA.MED.,67,484(2001) |
| Literature Reference DOI | 10.1055/s-2001-15803 |
| Molecular Weight | 796.994 g/mol |
| Solvent | C5D5N |
| Source File Reference | UIAP1577 |