| SpectraBase Compound ID | GfjVOreNsDf |
|---|---|
| InChI | InChI=1S/C43H72O14/c1-21-29(48)34(57-36-32(51)31(50)30(49)25(18-44)55-36)33(52)37(54-21)56-28-10-11-39(4)26(40(28,5)19-45)9-12-41(6)35(39)24(53-8)15-22-23-16-38(2,3)13-14-43(23,20-46)27(47)17-42(22,41)7/h15,21,23-37,44-52H,9-14,16-20H2,1-8H3/t21-,23+,24-,25-,26-,27+,28+,29+,30-,31+,32-,33-,34+,35-,36+,37+,39+,40+,41-,42-,43-/m1/s1 |
| InChIKey | GLQYFMRUYWFXGT-ZGFARVGISA-N |
| Mol Weight | 813.0 g/mol |
| Molecular Formula | C43H72O14 |
| Exact Mass | 812.492207 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 16rZY14L9nu |
|---|---|
| Name | SAIKOSAPONIN-B-3 |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H72O14 |
| InChI | InChI=1S/C43H72O14/c1-21-29(48)34(57-36-32(51)31(50)30(49)25(18-44)55-36)33(52)37(54-21)56-28-10-11-39(4)26(40(28,5)19-45)9-12-41(6)35(39)24(53-8)15-22-23-16-38(2,3)13-14-43(23,20-46)27(47)17-42(22,41)7/h15,21,23-37,44-52H,9-14,16-20H2,1-8H3/t21-,23+,24-,25-,26-,27+,28+,29+,30-,31+,32-,33-,34+,35-,36+,37+,39+,40+,41-,42-,43-/m1/s1 |
| InChIKey | GLQYFMRUYWFXGT-ZGFARVGISA-N |
| Literature Reference Author | A.YAMAMOTO,H.SUZUKI,T.MIYASE,A.UENO,T.MAEDA |
| Literature Reference Citation | PHYTOCHEM.,34,485(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)80035-Q |
| Molecular Weight | 813.036 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU7347 |