| SpectraBase Compound ID | 2ibIrFUVyuw |
|---|---|
| InChI | InChI=1S/C51H82O21/c1-20(19-64-46-40(60)39(59)36(56)31(17-52)69-46)7-10-29-21(2)33-30(68-29)16-28-26-9-8-24-15-25(11-13-50(24,5)27(26)12-14-51(28,33)6)67-49-45(72-48-42(62)38(58)35(55)23(4)66-48)43(63)44(32(18-53)70-49)71-47-41(61)37(57)34(54)22(3)65-47/h8,20,22-23,25-28,30-49,52-63H,7,9-19H2,1-6H3/t20-,22-,23-,25-,26+,27-,28-,30-,31+,32+,33-,34-,35-,36+,37+,38+,39-,40+,41+,42+,43-,44+,45+,46+,47-,48-,49+,50-,51-/m0/s1 |
| InChIKey | MDCUMTGKKLOMCW-JRJWFHKGSA-N |
| Mol Weight | 1031.2 g/mol |
| Molecular Formula | C51H82O21 |
| Exact Mass | 1030.53486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 506ev3J01W0 |
|---|---|
| Name | PSEUDOPROTODIOSCIN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H82O21 |
| InChI | InChI=1S/C51H82O21/c1-20(19-64-46-40(60)39(59)36(56)31(17-52)69-46)7-10-29-21(2)33-30(68-29)16-28-26-9-8-24-15-25(11-13-50(24,5)27(26)12-14-51(28,33)6)67-49-45(72-48-42(62)38(58)35(55)23(4)66-48)43(63)44(32(18-53)70-49)71-47-41(61)37(57)34(54)22(3)65-47/h8,20,22-23,25-28,30-49,52-63H,7,9-19H2,1-6H3/t20-,22-,23-,25-,26+,27-,28-,30-,31+,32+,33-,34-,35-,36+,37+,38+,39-,40+,41+,42+,43-,44+,45+,46+,47-,48-,49+,50-,51-/m0/s1 |
| InChIKey | MDCUMTGKKLOMCW-JRJWFHKGSA-N |
| Literature Reference Author | H.L.HUANG,T.H.LIU,F.SHAO |
| Literature Reference Citation | MAGN.RES.CHEM.,47,741(2009) |
| Literature Reference DOI | 10.1002/mrc.2455 |
| Molecular Weight | 1031.199 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU80030 |