| SpectraBase Compound ID | 3khnek7kQBs |
|---|---|
| InChI | InChI=1S/C59H88O23/c1-28-48(80-42-25-37(70-8)49(29(2)74-42)81-55-47(66)52(71-9)50(30(3)75-55)82-54-46(65)45(64)44(63)38(26-60)78-54)36(69-7)24-41(73-28)77-34-19-21-56(5)33(23-34)16-17-35-43(56)51(76-31(4)61)53(79-40(62)18-15-32-13-11-10-12-14-32)58-27-72-57(6,67)39(58)20-22-59(35,58)68/h10-15,18,28-30,33-39,41-55,60,63-68H,16-17,19-27H2,1-9H3/b18-15+/t28-,29-,30-,33+,34+,35-,36+,37-,38-,39-,41+,42+,43-,44-,45+,46-,47-,48-,49-,50-,51+,52+,53-,54+,55+,56+,57-,58+,59+/m1/s1 |
| InChIKey | VIKFNDITPFIFFM-ARPHXCEVSA-N |
| Mol Weight | 1165.3 g/mol |
| Molecular Formula | C59H88O23 |
| Exact Mass | 1164.571639 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DoBvnd3vdKn |
|---|---|
| Name | CONDURANGOGLYCOSIDE-D0 |
| CAS Registry Number | 80062-73-3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H88O23 |
| InChI | InChI=1S/C59H88O23/c1-28-48(80-42-25-37(70-8)49(29(2)74-42)81-55-47(66)52(71-9)50(30(3)75-55)82-54-46(65)45(64)44(63)38(26-60)78-54)36(69-7)24-41(73-28)77-34-19-21-56(5)33(23-34)16-17-35-43(56)51(76-31(4)61)53(79-40(62)18-15-32-13-11-10-12-14-32)58-27-72-57(6,67)39(58)20-22-59(35,58)68/h10-15,18,28-30,33-39,41-55,60,63-68H,16-17,19-27H2,1-9H3/b18-15+/t28-,29-,30-,33+,34+,35-,36+,37-,38-,39-,41+,42+,43-,44-,45+,46-,47-,48-,49-,50-,51+,52+,53-,54+,55+,56+,57-,58+,59+/m1/s1 |
| InChIKey | VIKFNDITPFIFFM-ARPHXCEVSA-N |
| Literature Reference Author | S.BERGER,P.JUNIOR,L.KOPANSKI |
| Literature Reference Citation | PHYTOCHEM.,27,1451(1988) |
| Literature Reference DOI | 10.1016/0031-9422(88)80214-0 |
| Molecular Weight | 1165.334 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK1110 |