| SpectraBase Compound ID | A63KBarfCHs |
|---|---|
| InChI | InChI=1S/C45H72O16/c1-21(47)56-33-24(50)19-55-38(34(33)57-22(2)48)60-28-11-13-45-20-44(45)15-14-41(7)35(43(9)12-10-29(61-43)40(5,6)54)23(49)17-42(41,8)27(44)16-25(36(45)39(28,3)4)58-37-32(53)31(52)30(51)26(18-46)59-37/h23-38,46,49-54H,10-20H2,1-9H3/t23-,24+,25-,26+,27?,28-,29-,30+,31-,32+,33-,34+,35?,36?,37+,38?,41+,42-,43+,44-,45+/m0/s1 |
| InChIKey | KXHCYYSIAXMSPA-GDNBBOSKSA-N |
| Mol Weight | 869.1 g/mol |
| Molecular Formula | C45H72O16 |
| Exact Mass | 868.482036 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KRTLdk9sPtt |
|---|---|
| Name | ASTRAGALOSIDE_I;ASTRASIEVERSIANIN_IV |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H72O16 |
| InChI | InChI=1S/C45H72O16/c1-21(47)56-33-24(50)19-55-38(34(33)57-22(2)48)60-28-11-13-45-20-44(45)15-14-41(7)35(43(9)12-10-29(61-43)40(5,6)54)23(49)17-42(41,8)27(44)16-25(36(45)39(28,3)4)58-37-32(53)31(52)30(51)26(18-46)59-37/h23-38,46,49-54H,10-20H2,1-9H3/t23-,24+,25-,26+,27?,28-,29-,30+,31-,32+,33-,34+,35?,36?,37+,38?,41+,42-,43+,44-,45+/m0/s1 |
| InChIKey | KXHCYYSIAXMSPA-GDNBBOSKSA-N |
| Literature Reference Author | M.T.BARATTA,G.RUBERTO |
| Literature Reference Citation | PLANTA.MED.,63,280(1997) |
| Literature Reference DOI | 10.1055/s-2006-957677 |
| Molecular Weight | 869.057 g/mol |
| Solvent | CD3OD |
| Source File Reference | UIAP944 |