| SpectraBase Compound ID | Cy4U7TZV2eU |
|---|---|
| InChI | InChI=1S/C51H80O19/c1-11-23(2)47(58)67-37-21-36-48(8)14-13-30(16-29(48)12-15-50(36,59)51(60)22-34(56)42(24(3)52)49(37,51)9)66-38-17-31(53)44(26(5)63-38)68-39-18-32(54)45(27(6)64-39)69-40-19-33(55)46(28(7)65-40)70-41-20-35(61-10)43(57)25(4)62-41/h11-12,25-28,30-46,53-57,59-60H,13-22H2,1-10H3/b23-11+/t25-,26-,27-,28-,30-,31+,32+,33+,34+,35-,36+,37+,38+,39+,40+,41+,42-,43-,44-,45-,46-,48-,49+,50-,51+/m0/s1 |
| InChIKey | PFKUQMQXAMIXHX-BUVBBEIOSA-N |
| Mol Weight | 997.2 g/mol |
| Molecular Formula | C51H80O19 |
| Exact Mass | 996.52938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3F6CZ8jqcHC |
|---|---|
| Name | 12-O-TIGLOYL-16-ALPHA-HYDROXYISOLINEOLON-3-O-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4) |
| Compound Number | 27 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H80O19 |
| InChI | InChI=1S/C51H80O19/c1-11-23(2)47(58)67-37-21-36-48(8)14-13-30(16-29(48)12-15-50(36,59)51(60)22-34(56)42(24(3)52)49(37,51)9)66-38-17-31(53)44(26(5)63-38)68-39-18-32(54)45(27(6)64-39)69-40-19-33(55)46(28(7)65-40)70-41-20-35(61-10)43(57)25(4)62-41/h11-12,25-28,30-46,53-57,59-60H,13-22H2,1-10H3/b23-11+/t25-,26-,27-,28-,30-,31+,32+,33+,34+,35-,36+,37+,38+,39+,40+,41+,42-,43-,44-,45-,46-,48-,49+,50-,51+/m0/s1 |
| InChIKey | PFKUQMQXAMIXHX-BUVBBEIOSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,99(2000) |
| Literature Reference DOI | 10.1248/cpb.48.99 |
| Molecular Weight | 997.185 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU4826 |