| SpectraBase Compound ID | 3LFGukP3kq5 |
|---|---|
| InChI | InChI=1S/C46H74O17/c1-21(47)28-11-14-46(54)44(28,7)34(51)20-33-43(6)12-10-27(15-26(43)9-13-45(33,46)53)60-35-16-29(48)40(23(3)57-35)61-36-17-30(49)41(24(4)58-36)62-37-18-31(50)42(25(5)59-37)63-38-19-32(55-8)39(52)22(2)56-38/h9,22-25,27-42,48-54H,10-20H2,1-8H3/t22-,23-,24-,25-,27-,28-,29+,30+,31+,32-,33+,34?,35+,36+,37+,38+,39-,40-,41-,42-,43-,44-,45-,46+/m0/s1 |
| InChIKey | HDALOXNSTLWULY-QUYNZHHCSA-N |
| Mol Weight | 899.1 g/mol |
| Molecular Formula | C46H74O17 |
| Exact Mass | 898.492601 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 43SNOJOyDnL |
|---|---|
| Name | LINEOLON-3-O-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H74O17 |
| InChI | InChI=1S/C46H74O17/c1-21(47)28-11-14-46(54)44(28,7)34(51)20-33-43(6)12-10-27(15-26(43)9-13-45(33,46)53)60-35-16-29(48)40(23(3)57-35)61-36-17-30(49)41(24(4)58-36)62-37-18-31(50)42(25(5)59-37)63-38-19-32(55-8)39(52)22(2)56-38/h9,22-25,27-42,48-54H,10-20H2,1-8H3/t22-,23-,24-,25-,27-,28-,29+,30+,31+,32-,33+,34?,35+,36+,37+,38+,39-,40-,41-,42-,43-,44-,45-,46+/m0/s1 |
| InChIKey | HDALOXNSTLWULY-QUYNZHHCSA-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 | 899.083 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU2037 |