| SpectraBase Compound ID | KZjyMVBC2iT |
|---|---|
| InChI | InChI=1S/C51H80O20/c1-24(54)66-30-22-65-43(40(62)41(30)67-25(2)55)70-33-12-13-47(5)31(48(33,6)23-53)11-14-50(8)32(47)10-9-26-27-19-46(3,4)15-17-51(27,18-16-49(26,50)7)45(63)71-44-39(61)37(59)35(57)29(69-44)21-64-42-38(60)36(58)34(56)28(20-52)68-42/h9,27-44,52-53,56-62H,10-23H2,1-8H3/t27-,28+,29+,30-,31+,32+,33-,34+,35+,36-,37-,38+,39+,40+,41-,42+,43-,44-,47-,48-,49+,50+,51-/m0/s1 |
| InChIKey | XIJNLNCOUCMCCW-GQHOMYNISA-N |
| Mol Weight | 1013.2 g/mol |
| Molecular Formula | C51H80O20 |
| Exact Mass | 1012.524295 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FFwAJoAj49s |
|---|---|
| Name | ASPEROSAPONIN-B;3-O-(3',4'-DI-O-ACETYL)-ALPHA-L-ARABINOPYRANOSYL-HEDERAGENIN-28-O-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H80O20 |
| InChI | InChI=1S/C51H80O20/c1-24(54)66-30-22-65-43(40(62)41(30)67-25(2)55)70-33-12-13-47(5)31(48(33,6)23-53)11-14-50(8)32(47)10-9-26-27-19-46(3,4)15-17-51(27,18-16-49(26,50)7)45(63)71-44-39(61)37(59)35(57)29(69-44)21-64-42-38(60)36(58)34(56)28(20-52)68-42/h9,27-44,52-53,56-62H,10-23H2,1-8H3/t27-,28+,29+,30-,31+,32+,33-,34+,35+,36-,37-,38+,39+,40+,41-,42+,43-,44-,47-,48-,49+,50+,51-/m0/s1 |
| InChIKey | XIJNLNCOUCMCCW-GQHOMYNISA-N |
| Literature Reference Author | D.JI,Y.WU,B.ZHANG,C.F.ZHANG,Z.L.YANG |
| Literature Reference Citation | FITOTERAPIA,83,843(2012) |
| Literature Reference DOI | 10.1016/j.fitote.2012.03.004 |
| Molecular Weight | 1013.184 g/mol |
| Sample ID | 71930 |
| Solvent | C5D5N |