| SpectraBase Compound ID | LAJJuyrjOeW |
|---|---|
| InChI | InChI=1S/C35H50O11/c1-18-29(43-19(2)36)30(44-20(3)37)31(45-21(4)38)32(42-18)46-24-9-12-33(5)23(16-24)7-8-27-26(33)10-13-34(6)25(11-14-35(27,34)40)22-15-28(39)41-17-22/h15,18,23-27,29-32,40H,7-14,16-17H2,1-6H3/t18-,23+,24-,25+,26-,27+,29-,30+,31+,32+,33-,34+,35-/m0/s1 |
| InChIKey | LICOIYMZLZTUHN-RRNXZSBUSA-N |
| Mol Weight | 646.8 g/mol |
| Molecular Formula | C35H50O11 |
| Exact Mass | 646.335312 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BwJLVORHa7g |
|---|---|
| Name | DIGITOXIGENIN-3-BETA-O-ALPHA-L-PERACETYLRHAMNOSID,(5-BETA-H) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H50O11 |
| InChI | InChI=1S/C35H50O11/c1-18-29(43-19(2)36)30(44-20(3)37)31(45-21(4)38)32(42-18)46-24-9-12-33(5)23(16-24)7-8-27-26(33)10-13-34(6)25(11-14-35(27,34)40)22-15-28(39)41-17-22/h15,18,23-27,29-32,40H,7-14,16-17H2,1-6H3/t18-,23+,24-,25+,26-,27+,29-,30+,31+,32+,33-,34+,35-/m0/s1 |
| InChIKey | LICOIYMZLZTUHN-RRNXZSBUSA-N |
| Literature Reference Author | H.T.A.CHEUNG,L.BROWN,J.BOUTAGY,R.THOMAS |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1773(1981) |
| Literature Reference DOI | 10.1039/p19810001773 |
| Molecular Weight | 646.775 g/mol |
| Solvent | CD3OD |
| Source File Reference | UNIW8512 |