| SpectraBase Compound ID | 6PT8ux5BYsw |
|---|---|
| InChI | InChI=1S/C48H78O19/c1-22-31(54)39(67-41-37(60)35(58)33(56)26(18-50)65-41)38(61)42(63-22)66-30-10-11-44(3)27(45(30,4)19-51)9-12-46(5)28(44)8-7-23-24-15-43(2,13-14-48(24,20-52)29(53)16-47(23,46)6)21-62-40-36(59)34(57)32(55)25(17-49)64-40/h7-8,22,25-42,49-61H,9-21H2,1-6H3/t22-,25+,26-,27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,39+,40+,41+,42+,43+,44+,45+,46-,47-,48-/m1/s1 |
| InChIKey | KSRGZIDAGNVEEC-PSNSHXSGSA-N |
| Mol Weight | 959.1 g/mol |
| Molecular Formula | C48H78O19 |
| Exact Mass | 958.51373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | q8pLPS3Aab |
|---|---|
| Name | 30-BETA-D-GLUCOPYRANOSYL-30-HYDROXY-SAIKOSAPONIN-B2 |
| Compound Number | S24 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H78O19 |
| InChI | InChI=1S/C48H78O19/c1-22-31(54)39(67-41-37(60)35(58)33(56)26(18-50)65-41)38(61)42(63-22)66-30-10-11-44(3)27(45(30,4)19-51)9-12-46(5)28(44)8-7-23-24-15-43(2,13-14-48(24,20-52)29(53)16-47(23,46)6)21-62-40-36(59)34(57)32(55)25(17-49)64-40/h7-8,22,25-42,49-61H,9-21H2,1-6H3/t22-,25+,26-,27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,39+,40+,41+,42+,43+,44+,45+,46-,47-,48-/m1/s1 |
| InChIKey | KSRGZIDAGNVEEC-PSNSHXSGSA-N |
| Literature Reference Author | H.SETO,N.OTAKE,H.KAWAI,S.Q.LUO,F.G.QIAN,S.L.PAN |
| Literature Reference Citation | AGR.BIOL.CHEM.,50,1607(1986) |
| Literature Reference DOI | 10.1271/bbb1961.50.1607 |
| Molecular Weight | 959.136 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWIR8182 |