![DIGITOXIGENIN-3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE]](/api/spectrum/D5sZwFEdEmI/structure.png?h=300&w=458 "DIGITOXIGENIN-3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE]")
| SpectraBase Compound ID | 93jRxpO7SdI |
|---|---|
| InChI | InChI=1S/C42H66O16/c1-19-31(44)33(46)35(48)38(55-19)53-18-28-32(45)34(47)36(49)39(57-28)58-37-20(2)54-30(16-27(37)51-5)56-23-8-11-40(3)22(15-23)6-7-26-25(40)9-12-41(4)24(10-13-42(26,41)50)21-14-29(43)52-17-21/h14,19-20,22-28,30-39,44-50H,6-13,15-18H2,1-5H3/t19-,20-,22-,23+,24-,25?,26?,27+,28+,30+,31-,32+,33+,34-,35+,36+,37-,38+,39-,40+,41-,42+/m1/s1 |
| InChIKey | CKQGRJBJJDMVFY-YDKLHADYSA-N |
| Mol Weight | 827.0 g/mol |
| Molecular Formula | C42H66O16 |
| Exact Mass | 826.435086 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 | D5sZwFEdEmI |
|---|---|
| Name | DIGITOXIGENIN-3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE] |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O16 |
| InChI | InChI=1S/C42H66O16/c1-19-31(44)33(46)35(48)38(55-19)53-18-28-32(45)34(47)36(49)39(57-28)58-37-20(2)54-30(16-27(37)51-5)56-23-8-11-40(3)22(15-23)6-7-26-25(40)9-12-41(4)24(10-13-42(26,41)50)21-14-29(43)52-17-21/h14,19-20,22-28,30-39,44-50H,6-13,15-18H2,1-5H3/t19-,20-,22-,23+,24-,25?,26?,27+,28+,30+,31-,32+,33+,34-,35+,36+,37-,38+,39-,40+,41-,42+/m1/s1 |
| InChIKey | CKQGRJBJJDMVFY-YDKLHADYSA-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 | 826.976 g/mol |
| Solvent | Unknown |
| Source File Reference | UWLU6427 |