![15-BETA-HYDROXYISOLINEOLON-3-O-BETA-D-[OLEANDROPYRANOSYL-(1->4)-DIGITOXOPYRANOSYL-(1->4)-DIGITOXOPYRANOSYL-(1->4)-CYMAROPYRANOSIDE]](/api/spectrum/5tGjg3nTUoY/structure.png?h=300&w=458 "15-BETA-HYDROXYISOLINEOLON-3-O-BETA-D-[OLEANDROPYRANOSYL-(1->4)-DIGITOXOPYRANOSYL-(1->4)-DIGITOXOPYRANOSYL-(1->4)-CYMAROPYRANOSIDE]")
| SpectraBase Compound ID | 9LHUk0OfU3z |
|---|---|
| InChI | InChI=1S/C47H76O18/c1-21(48)28-15-35(52)47(55)45(28,7)34(51)20-33-44(6)12-11-27(14-26(44)10-13-46(33,47)54)62-38-19-32(57-9)43(25(5)61-38)65-37-17-30(50)41(23(3)60-37)63-36-16-29(49)42(24(4)59-36)64-39-18-31(56-8)40(53)22(2)58-39/h10,22-25,27-43,49-55H,11-20H2,1-9H3/t22-,23-,24-,25+,27-,28+,29+,30+,31-,32-,33+,34+,35+,36+,37+,38-,39+,40-,41-,42-,43+,44-,45-,46-,47+/m0/s1 |
| InChIKey | GIIAAMSDEKOSKY-YOKUOQOXSA-N |
| Mol Weight | 929.1 g/mol |
| Molecular Formula | C47H76O18 |
| Exact Mass | 928.503166 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5tGjg3nTUoY |
|---|---|
| Name | 15-BETA-HYDROXYISOLINEOLON-3-O-BETA-D-[OLEANDROPYRANOSYL-(1->4)-DIGITOXOPYRANOSYL-(1->4)-DIGITOXOPYRANOSYL-(1->4)-CYMAROPYRANOSIDE] |
| Compound Number | 24 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H76O18 |
| InChI | InChI=1S/C47H76O18/c1-21(48)28-15-35(52)47(55)45(28,7)34(51)20-33-44(6)12-11-27(14-26(44)10-13-46(33,47)54)62-38-19-32(57-9)43(25(5)61-38)65-37-17-30(50)41(23(3)60-37)63-36-16-29(49)42(24(4)59-36)64-39-18-31(56-8)40(53)22(2)58-39/h10,22-25,27-43,49-55H,11-20H2,1-9H3/t22-,23-,24-,25+,27-,28+,29+,30+,31-,32-,33+,34+,35+,36+,37+,38-,39+,40-,41-,42-,43+,44-,45-,46-,47+/m0/s1 |
| InChIKey | GIIAAMSDEKOSKY-YOKUOQOXSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | PHYTOCHEM.,53,485(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00560-9 |
| Molecular Weight | 929.110 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU2048 |