| SpectraBase Compound ID | EVQmelQPX0e |
|---|---|
| InChI | InChI=1S/C54H86O24/c1-49(2)13-15-54(16-14-52(5)23(24(54)17-49)7-8-30-50(3)11-10-31(59)51(4,22-58)29(50)9-12-53(30,52)6)48(70)78-46-41(69)42(76-44-39(67)36(64)32(60)25(18-55)72-44)35(63)28(75-46)21-71-47-43(38(66)34(62)27(20-57)74-47)77-45-40(68)37(65)33(61)26(19-56)73-45/h7,22,24-47,55-57,59-69H,8-21H2,1-6H3/t24-,25-,26+,27+,28+,29+,30+,31-,32-,33+,34+,35+,36+,37-,38-,39-,40+,41+,42-,43+,44+,45-,46-,47+,50-,51-,52+,53+,54-/m0/s1 |
| InChIKey | NWGIQSNUXGLCKI-OJHKCHLFSA-N |
| Mol Weight | 1119.3 g/mol |
| Molecular Formula | C54H86O24 |
| Exact Mass | 1118.550904 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KOUNIWx3xoI |
|---|---|
| Name | DIANTHOSAPONIN-E;GYPSOGENIN-28-BETA-D-(2''''-O-BETA-D-GLUCOPYRANOSYL)-(3'',6''-DI-O-BETA-D-GLUCOPYRANOSYL)-GLUCOPYRANOSYLESTER |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H86O24 |
| InChI | InChI=1S/C54H86O24/c1-49(2)13-15-54(16-14-52(5)23(24(54)17-49)7-8-30-50(3)11-10-31(59)51(4,22-58)29(50)9-12-53(30,52)6)48(70)78-46-41(69)42(76-44-39(67)36(64)32(60)25(18-55)72-44)35(63)28(75-46)21-71-47-43(38(66)34(62)27(20-57)74-47)77-45-40(68)37(65)33(61)26(19-56)73-45/h7,22,24-47,55-57,59-69H,8-21H2,1-6H3/t24-,25-,26+,27+,28+,29+,30+,31-,32-,33+,34+,35+,36+,37-,38-,39-,40+,41+,42-,43+,44+,45-,46-,47+,50-,51-,52+,53+,54-/m0/s1 |
| InChIKey | NWGIQSNUXGLCKI-OJHKCHLFSA-N |
| Literature Reference Author | T.NAKANO,S.SUGIMOTO,K.MATSUNAMI,H.OTSUKA |
| Literature Reference Citation | CHEM.PHARM.BULL.,59,1141(2011) |
| Literature Reference DOI | 10.1248/cpb.59.1141 |
| Molecular Weight | 1119.262 g/mol |
| Source File Reference | UWIR3537 |