![DIGITOXIGENIN-3-O-[BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE]](/api/spectrum/5JpRn3deUl/structure.png?h=300&w=458 "DIGITOXIGENIN-3-O-[BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE]")
| SpectraBase Compound ID | CsKKQtU9ogz |
|---|---|
| InChI | InChI=1S/C49H78O20/c1-22-43(68-36-18-31(60-6)44(23(2)64-36)69-46-42(57)40(55)38(53)33(67-46)21-62-45-41(56)39(54)37(52)32(19-50)66-45)30(59-5)17-35(63-22)65-26-9-12-47(3)25(16-26)7-8-29-28(47)10-13-48(4)27(11-14-49(29,48)58)24-15-34(51)61-20-24/h15,22-23,25-33,35-46,50,52-58H,7-14,16-21H2,1-6H3/t22-,23+,25-,26+,27-,28?,29?,30+,31-,32-,33-,35+,36-,37-,38-,39+,40+,41-,42-,43-,44+,45-,46+,47+,48-,49+/m1/s1 |
| InChIKey | KBWBGIZHMVJQDH-WRZQACLGSA-N |
| Mol Weight | 987.1 g/mol |
| Molecular Formula | C49H78O20 |
| Exact Mass | 986.508645 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 | 5JpRn3deUl |
|---|---|
| Name | DIGITOXIGENIN-3-O-[BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE] |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H78O20 |
| InChI | InChI=1S/C49H78O20/c1-22-43(68-36-18-31(60-6)44(23(2)64-36)69-46-42(57)40(55)38(53)33(67-46)21-62-45-41(56)39(54)37(52)32(19-50)66-45)30(59-5)17-35(63-22)65-26-9-12-47(3)25(16-26)7-8-29-28(47)10-13-48(4)27(11-14-49(29,48)58)24-15-34(51)61-20-24/h15,22-23,25-33,35-46,50,52-58H,7-14,16-21H2,1-6H3/t22-,23+,25-,26+,27-,28?,29?,30+,31-,32-,33-,35+,36-,37-,38-,39+,40+,41-,42-,43-,44+,45-,46+,47+,48-,49+/m1/s1 |
| InChIKey | KBWBGIZHMVJQDH-WRZQACLGSA-N |
| Literature Reference Author | G.M.CABRERA,M.E.DELUCA,A.M.SELDES,E.G.GROS,J.C.OBERTI,J.CROC KETT,M.L.GROSS |
| Literature Reference Citation | PHYTOCHEM.,32,1253(1993) |
| Literature Reference DOI | 10.1016/S0031-9422(00)95101-X |
| Molecular Weight | 987.146 g/mol |
| Solvent | Unknown |
| Source File Reference | UWLU6428 |