| SpectraBase Compound ID | JbS3v6R58ae |
|---|---|
| InChI | InChI=1S/C44H64O22/c1-7-23-25(27(39(55)57-5)19-61-41(23)65-43-37(53)35(51)33(49)29(16-45)63-43)14-31(47)59-13-12-21(3)10-9-11-22(4)18-60-32(48)15-26-24(8-2)42(62-20-28(26)40(56)58-6)66-44-38(54)36(52)34(50)30(17-46)64-44/h7-8,11,19-21,25-26,29-30,33-38,41-46,49-54H,9-10,12-18H2,1-6H3/b22-11+,23-7+,24-8+/t21?,25-,26-,29-,30-,33-,34-,35+,36+,37-,38-,41-,42-,43+,44+/m0/s1 |
| InChIKey | ABFBAKLDAYXWRV-WGXQYPOASA-N |
| Mol Weight | 945.0 g/mol |
| Molecular Formula | C44H64O22 |
| Exact Mass | 944.388924 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9hJI9snFIAP |
|---|---|
| Name | JASPOGERANOSIDE-B |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H64O22 |
| InChI | InChI=1S/C44H64O22/c1-7-23-25(27(39(55)57-5)19-61-41(23)65-43-37(53)35(51)33(49)29(16-45)63-43)14-31(47)59-13-12-21(3)10-9-11-22(4)18-60-32(48)15-26-24(8-2)42(62-20-28(26)40(56)58-6)66-44-38(54)36(52)34(50)30(17-46)64-44/h7-8,11,19-21,25-26,29-30,33-38,41-46,49-54H,9-10,12-18H2,1-6H3/b22-11+,23-7+,24-8+/t21?,25-,26-,29-,30-,33-,34-,35+,36+,37-,38-,41-,42-,43+,44+/m0/s1 |
| InChIKey | ABFBAKLDAYXWRV-WGXQYPOASA-N |
| Literature Reference Author | Y.TAKENAKA,T.TANAHASHI,N.NAGAKURA |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,1776(1998) |
| Literature Reference DOI | 10.1248/cpb.46.1776 |
| Molecular Weight | 944.979 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS20863 |