| SpectraBase Compound ID | Ks2AFfcU17Q |
|---|---|
| InChI | InChI=1S/C44H70O14/c1-22-30(49)35(58-36-32(51)31(50)34(55-23(2)47)24(19-45)56-36)33(52)37(54-22)57-29-11-12-39(5)25(40(29,6)20-46)9-13-41(7)26(39)10-14-44-27-17-38(3,4)15-16-43(27,21-53-44)28(48)18-42(41,44)8/h10,14,22,24-37,45-46,48-52H,9,11-13,15-21H2,1-8H3/t22-,24-,25?,26?,27?,28-,29+,30+,31-,32-,33-,34-,35+,36+,37+,39+,40+,41-,42+,43-,44+/m1/s1 |
| InChIKey | PAEBOQPQAZCVKP-JNDOCWORSA-N |
| Mol Weight | 823.0 g/mol |
| Molecular Formula | C44H70O14 |
| Exact Mass | 822.476557 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A61otyiRjdp |
|---|---|
| Name | 4''-O-ACETYLSAIKOSAPONIN-D |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H70O14 |
| InChI | InChI=1S/C44H70O14/c1-22-30(49)35(58-36-32(51)31(50)34(55-23(2)47)24(19-45)56-36)33(52)37(54-22)57-29-11-12-39(5)25(40(29,6)20-46)9-13-41(7)26(39)10-14-44-27-17-38(3,4)15-16-43(27,21-53-44)28(48)18-42(41,44)8/h10,14,22,24-37,45-46,48-52H,9,11-13,15-21H2,1-8H3/t22-,24-,25?,26?,27?,28-,29+,30+,31-,32-,33-,34-,35+,36+,37+,39+,40+,41-,42+,43-,44+/m1/s1 |
| InChIKey | PAEBOQPQAZCVKP-JNDOCWORSA-N |
| Literature Reference Author | N.EBATA,K.NAKAJIMA,K.HAYASHI,M.OKADA,M.MARUNO |
| Literature Reference Citation | PHYTOCHEM.,41,895(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00720-2 |
| Molecular Weight | 823.031 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU4125 |