| SpectraBase Compound ID | 9YUjOny978u |
|---|---|
| InChI | InChI=1S/C54H80O18/c1-27(55)35-17-20-54(61)52(35,7)41(69-50(59)32-13-11-10-12-14-32)26-40-51(6)18-16-34(21-33(51)15-19-53(40,54)60)68-44-25-39(63-9)49(31(5)67-44)72-43-23-37(57)47(29(3)66-43)70-42-22-36(56)48(30(4)65-42)71-45-24-38(62-8)46(58)28(2)64-45/h10-15,28-31,34-49,56-58,60-61H,16-26H2,1-9H3/t28-,29-,30-,31+,34-,35+,36+,37+,38-,39-,40+,41+,42+,43+,44-,45+,46-,47-,48-,49+,51-,52-,53-,54+/m0/s1 |
| InChIKey | PPZUIEAOEJDRLC-RCJJZXMUSA-N |
| Mol Weight | 1017.2 g/mol |
| Molecular Formula | C54H80O18 |
| Exact Mass | 1016.534466 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9cnpvkcAwEb |
|---|---|
| Name | 12-O-BENZOYLISOLINEOLON-3-O-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H80O18 |
| InChI | InChI=1S/C54H80O18/c1-27(55)35-17-20-54(61)52(35,7)41(69-50(59)32-13-11-10-12-14-32)26-40-51(6)18-16-34(21-33(51)15-19-53(40,54)60)68-44-25-39(63-9)49(31(5)67-44)72-43-23-37(57)47(29(3)66-43)70-42-22-36(56)48(30(4)65-42)71-45-24-38(62-8)46(58)28(2)64-45/h10-15,28-31,34-49,56-58,60-61H,16-26H2,1-9H3/t28-,29-,30-,31+,34-,35+,36+,37+,38-,39-,40+,41+,42+,43+,44-,45+,46-,47-,48-,49+,51-,52-,53-,54+/m0/s1 |
| InChIKey | PPZUIEAOEJDRLC-RCJJZXMUSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,516(2000) |
| Literature Reference DOI | 10.1248/cpb.48.516 |
| Molecular Weight | 1017.218 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU5024 |