| SpectraBase Compound ID | INXWdb0543x |
|---|---|
| InChI | InChI=1S/C44H70O13/c1-22-30(48)34(57-37-33(51)35(54-23(2)46)31(49)24(20-45)55-37)32(50)36(53-22)56-29-12-13-40(7)25(39(29,5)6)10-14-41(8)26(40)11-15-44-27-18-38(3,4)16-17-43(27,21-52-44)28(47)19-42(41,44)9/h11,15,22,24-37,45,47-51H,10,12-14,16-21H2,1-9H3/t22-,24-,25+,26-,27-,28+,29+,30+,31-,32-,33-,34+,35+,36+,37+,40+,41-,42+,43-,44+/m1/s1 |
| InChIKey | YGWYQVBEZHDKGO-BEXNBMDESA-N |
| Mol Weight | 807.0 g/mol |
| Molecular Formula | C44H70O13 |
| Exact Mass | 806.481642 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7NPH1Aag7Mu |
|---|---|
| Name | 3''-O-ACETYL-SAIKOSAPONIN-E |
| Compound Number | S34 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H70O13 |
| InChI | InChI=1S/C44H70O13/c1-22-30(48)34(57-37-33(51)35(54-23(2)46)31(49)24(20-45)55-37)32(50)36(53-22)56-29-12-13-40(7)25(39(29,5)6)10-14-41(8)26(40)11-15-44-27-18-38(3,4)16-17-43(27,21-52-44)28(47)19-42(41,44)9/h11,15,22,24-37,45,47-51H,10,12-14,16-21H2,1-9H3/t22-,24-,25+,26-,27-,28+,29+,30+,31-,32-,33-,34+,35+,36+,37+,40+,41-,42+,43-,44+/m1/s1 |
| InChIKey | YGWYQVBEZHDKGO-BEXNBMDESA-N |
| Literature Reference Author | H.SETO,H.KAWAI,N.OTAKE,S.Q.LUO,F.G.QIAN,S.L.PAN |
| Literature Reference Citation | AGR.BIOL.CHEM.,50,1613(1986) |
| Literature Reference DOI | 10.1271/bbb1961.50.1613 |
| Molecular Weight | 807.032 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWIR8194 |