| SpectraBase Compound ID | 3sIwS5eSb9a |
|---|---|
| InChI | InChI=1S/C50H83NO22/c1-19-13-50(64)43(51-14-19)20(2)31-27(73-50)12-25-23-6-5-21-11-22(7-9-48(21,3)24(23)8-10-49(25,31)4)66-45-39(63)36(60)40(30(17-54)69-45)70-47-42(72-46-38(62)35(59)33(57)28(15-52)67-46)41(34(58)29(16-53)68-47)71-44-37(61)32(56)26(55)18-65-44/h19-47,51-64H,5-18H2,1-4H3/t19-,20-,21-,22-,23?,24?,25?,26+,27-,28-,29-,30+,31?,32-,33-,34-,35+,36+,37+,38-,39+,40-,41+,42-,43-,44-,45+,46+,47+,48-,49-,50+/m0/s1 |
| InChIKey | RLEPKHOQRVRAFV-JQUTTWSFSA-N |
| Mol Weight | 1050.2 g/mol |
| Molecular Formula | C50H83NO22 |
| Exact Mass | 1049.540673 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IrLmhQQBGtd |
|---|---|
| Name | LYCOPEROSIDE-H;3-O-BETA-LYCOTETRAOSYL-22-ISOPIMPIFOLIDINE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H83NO22 |
| InChI | InChI=1S/C50H83NO22/c1-19-13-50(64)43(51-14-19)20(2)31-27(73-50)12-25-23-6-5-21-11-22(7-9-48(21,3)24(23)8-10-49(25,31)4)66-45-39(63)36(60)40(30(17-54)69-45)70-47-42(72-46-38(62)35(59)33(57)28(15-52)67-46)41(34(58)29(16-53)68-47)71-44-37(61)32(56)26(55)18-65-44/h19-47,51-64H,5-18H2,1-4H3/t19-,20-,21-,22-,23?,24?,25?,26+,27-,28-,29-,30+,31?,32-,33-,34-,35+,36+,37+,38-,39+,40-,41+,42-,43-,44-,45+,46+,47+,48-,49-,50+/m0/s1 |
| InChIKey | RLEPKHOQRVRAFV-JQUTTWSFSA-N |
| Literature Reference Author | S.YAHARA,N.UDA,E.YOSHIO,E.YAE |
| Literature Reference Citation | J.NAT.PROD.,67,500(2004) |
| Literature Reference DOI | 10.1021/np030382x |
| Molecular Weight | 1050.203 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWKP4136 |