| SpectraBase Compound ID | 9obwkTIduWu |
|---|---|
| InChI | InChI=1S/C44H70O14/c1-22-30(49)34(58-37-33(52)35(55-23(2)47)31(50)24(19-45)56-37)32(51)36(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 | HAUJZZHHHIUYEJ-DHJDODSISA-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 | pK3pEHiK94 |
|---|---|
| Name | 3''-O-ACETYL-SAIKOSAPONIN-A |
| Compound Number | S4 |
| 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)34(58-37-33(52)35(55-23(2)47)31(50)24(19-45)56-37)32(51)36(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 | HAUJZZHHHIUYEJ-DHJDODSISA-N |
| Literature Reference Author | H.SETO,N.OTAKE,S.Q.LUO,F.G.QIAN,G.Y.XU,S.L.PAN |
| Literature Reference Citation | AGR.BIOL.CHEM.,50,943(1986) |
| Literature Reference DOI | 10.1271/bbb1961.50.943 |
| Molecular Weight | 823.031 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWIR8143 |