| SpectraBase Compound ID | 7yrXCTPleSE |
|---|---|
| InChI | InChI=1S/C52H86O22/c1-21(20-66-46-40(61)39(60)36(57)31(18-53)70-46)10-15-52(65-7)22(2)33-30(74-52)17-29-27-9-8-25-16-26(11-13-50(25,5)28(27)12-14-51(29,33)6)69-49-45(73-48-42(63)38(59)35(56)24(4)68-48)43(64)44(32(19-54)71-49)72-47-41(62)37(58)34(55)23(3)67-47/h8,21-24,26-49,53-64H,9-20H2,1-7H3/t21-,22-,23-,24-,26-,27+,28-,29-,30-,31-,32+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42+,43-,44+,45+,46-,47-,48-,49+,50-,51-,52?/m0/s1 |
| InChIKey | HSSJYSJXBOCKQM-DNEVCTMESA-N |
| Mol Weight | 1063.2 g/mol |
| Molecular Formula | C52H86O22 |
| Exact Mass | 1062.561074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CTLczo5XHCA |
|---|---|
| Name | METHYL-PROTODIOSCIN |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H86O22 |
| InChI | InChI=1S/C52H86O22/c1-21(20-66-46-40(61)39(60)36(57)31(18-53)70-46)10-15-52(65-7)22(2)33-30(74-52)17-29-27-9-8-25-16-26(11-13-50(25,5)28(27)12-14-51(29,33)6)69-49-45(73-48-42(63)38(59)35(56)24(4)68-48)43(64)44(32(19-54)71-49)72-47-41(62)37(58)34(55)23(3)67-47/h8,21-24,26-49,53-64H,9-20H2,1-7H3/t21-,22-,23-,24-,26-,27+,28-,29-,30-,31-,32+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42+,43-,44+,45+,46-,47-,48-,49+,50-,51-,52?/m0/s1 |
| InChIKey | HSSJYSJXBOCKQM-DNEVCTMESA-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 | 1063.242 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU80031 |