![3-EPIDIGITOXIGENIN-3-ALPHA-O-[BETA-D-GLUCOPYRANOSYL-6'-BETA-D-GLUCOPYRANOSIDE]-HEPTAACETATE;3-EPIDIGITOXIGENIN-BETA-D-GENTIOBIOSIDE-H](/api/spectrum/CucSZl9oRSN/structure.png?h=300&w=458 "3-EPIDIGITOXIGENIN-3-ALPHA-O-[BETA-D-GLUCOPYRANOSYL-6'-BETA-D-GLUCOPYRANOSIDE]-HEPTAACETATE;3-EPIDIGITOXIGENIN-BETA-D-GENTIOBIOSIDE-H")
| SpectraBase Compound ID | A5loRhBemeB |
|---|---|
| InChI | InChI=1S/C49H68O21/c1-23(50)59-21-36-39(62-24(2)51)41(64-26(4)53)43(66-28(6)55)45(69-36)61-22-37-40(63-25(3)52)42(65-27(5)54)44(67-29(7)56)46(70-37)68-32-12-15-47(8)31(19-32)10-11-35-34(47)13-16-48(9)33(14-17-49(35,48)58)30-18-38(57)60-20-30/h18,31-37,39-46,58H,10-17,19-22H2,1-9H3/t31-,32-,33-,34?,35?,36+,37-,39+,40-,41-,42+,43+,44-,45+,46-,47+,48-,49+/m1/s1 |
| InChIKey | SHHNUEPOQBEFLK-WZOKODCZSA-N |
| Mol Weight | 993.1 g/mol |
| Molecular Formula | C49H68O21 |
| Exact Mass | 992.425309 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CucSZl9oRSN |
|---|---|
| Name | 3-EPIDIGITOXIGENIN-3-ALPHA-O-[BETA-D-GLUCOPYRANOSYL-6'-BETA-D-GLUCOPYRANOSIDE]-HEPTAACETATE;3-EPIDIGITOXIGENIN-BETA-D-GENTIOBIOSIDE-H |
| Compound Number | 12-H EPTAACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H68O21 |
| InChI | InChI=1S/C49H68O21/c1-23(50)59-21-36-39(62-24(2)51)41(64-26(4)53)43(66-28(6)55)45(69-36)61-22-37-40(63-25(3)52)42(65-27(5)54)44(67-29(7)56)46(70-37)68-32-12-15-47(8)31(19-32)10-11-35-34(47)13-16-48(9)33(14-17-49(35,48)58)30-18-38(57)60-20-30/h18,31-37,39-46,58H,10-17,19-22H2,1-9H3/t31-,32-,33-,34?,35?,36+,37-,39+,40-,41-,42+,43+,44-,45+,46-,47+,48-,49+/m1/s1 |
| InChIKey | SHHNUEPOQBEFLK-WZOKODCZSA-N |
| Literature Reference Author | K.KAWAGUCHI,M.HIROTANI,T.YOSHIKAWA,T.FURUYA |
| Literature Reference Citation | PHYTOCHEM.,29,837(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)80029-G |
| Molecular Weight | 993.066 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN29433 |