| SpectraBase Compound ID | LwH3pwuYf3K |
|---|---|
| InChI | InChI=1S/C54H88O24/c1-49(2)13-14-54(22-59)24(15-49)23-7-8-30-50(3)11-10-32(51(4,21-58)29(50)9-12-52(30,5)53(23,6)16-31(54)60)76-48-44(78-46-42(70)38(66)34(62)26(18-56)73-46)40(68)36(64)28(75-48)20-71-47-43(39(67)35(63)27(19-57)74-47)77-45-41(69)37(65)33(61)25(17-55)72-45/h7-8,25-48,55-70H,9-22H2,1-6H3/t25-,26-,27-,28-,29?,30?,31+,32+,33-,34-,35-,36-,37+,38+,39+,40+,41-,42-,43-,44-,45+,46+,47-,48+,50+,51+,52-,53-,54-/m1/s1 |
| InChIKey | NOJALDNWFNDPQP-FECCCBCSSA-N |
| Mol Weight | 1121.3 g/mol |
| Molecular Formula | C54H88O24 |
| Exact Mass | 1120.566554 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2RJnKAuSYA0 |
|---|---|
| Name | SAIKOSAPONIN-O;3-BETA,16-BETA,23,28-TETRAHYDROXY-OLEAN-11,13(18)-DIENE-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->6)-[BETA-D-GLUCOP |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H88O24 |
| InChI | InChI=1S/C54H88O24/c1-49(2)13-14-54(22-59)24(15-49)23-7-8-30-50(3)11-10-32(51(4,21-58)29(50)9-12-52(30,5)53(23,6)16-31(54)60)76-48-44(78-46-42(70)38(66)34(62)26(18-56)73-46)40(68)36(64)28(75-48)20-71-47-43(39(67)35(63)27(19-57)74-47)77-45-41(69)37(65)33(61)25(17-55)72-45/h7-8,25-48,55-70H,9-22H2,1-6H3/t25-,26-,27-,28-,29?,30?,31+,32+,33-,34-,35-,36-,37+,38+,39+,40+,41-,42-,43-,44-,45+,46+,47-,48+,50+,51+,52-,53-,54-/m1/s1 |
| InChIKey | NOJALDNWFNDPQP-FECCCBCSSA-N |
| Literature Reference Author | Y.Y.ZHAO,H.S.LUO,B.WANG,L.B.MA,G.Z.TU,R.Y.ZHANG |
| Literature Reference Citation | PHYTOCHEM.,42,1673(1996) |
| Literature Reference DOI | 10.1016/0031-9422(96)00026-X |
| Molecular Weight | 1121.278 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN3301 |