| SpectraBase Compound ID | DU8fm31rvXW |
|---|---|
| InChI | InChI=1S/C81H116O38/c1-34-21-26-81(99-29-34)35(2)60-55(119-81)28-54-52-20-19-50-27-51(22-24-79(50,17)53(52)23-25-80(54,60)18)112-77-72(118-76-71(111-49(16)94)66(107-45(12)90)61(36(3)100-76)103-41(8)86)67(108-46(13)91)63(59(113-77)31-96-38(5)83)115-78-73(117-75-70(110-48(15)93)65(106-44(11)89)57(33-98-75)102-40(7)85)68(62(104-42(9)87)58(114-78)30-95-37(4)82)116-74-69(109-47(14)92)64(105-43(10)88)56(32-97-74)101-39(6)84/h34-36,50-78H,19-33H2,1-18H3/t34-,35-,36+,50-,51-,52+,53-,54-,55-,56-,57-,58-,59+,60-,61+,62-,63-,64+,65+,66-,67-,68+,69-,70-,71-,72+,73-,74+,75+,76+,77+,78+,79-,80-,81-/m0/s1 |
| InChIKey | KEBHUXAKTUUVOZ-SJFOSNKTSA-N |
| Mol Weight | 1697.8 g/mol |
| Molecular Formula | C81H116O38 |
| Exact Mass | 1696.714459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KU84xzvn8nd |
|---|---|
| Name | PERACETYL-TRIBULOSIN |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C81H116O38 |
| InChI | InChI=1S/C81H116O38/c1-34-21-26-81(99-29-34)35(2)60-55(119-81)28-54-52-20-19-50-27-51(22-24-79(50,17)53(52)23-25-80(54,60)18)112-77-72(118-76-71(111-49(16)94)66(107-45(12)90)61(36(3)100-76)103-41(8)86)67(108-46(13)91)63(59(113-77)31-96-38(5)83)115-78-73(117-75-70(110-48(15)93)65(106-44(11)89)57(33-98-75)102-40(7)85)68(62(104-42(9)87)58(114-78)30-95-37(4)82)116-74-69(109-47(14)92)64(105-43(10)88)56(32-97-74)101-39(6)84/h34-36,50-78H,19-33H2,1-18H3/t34-,35-,36+,50-,51-,52+,53-,54-,55-,56-,57-,58-,59+,60-,61+,62-,63-,64+,65+,66-,67-,68+,69-,70-,71-,72+,73-,74+,75+,76+,77+,78+,79-,80-,81-/m0/s1 |
| InChIKey | KEBHUXAKTUUVOZ-SJFOSNKTSA-N |
| Literature Reference Author | H.ACHENBACH,H.HUEBNER,W.BRANDT,M.REITER |
| Literature Reference Citation | PHYTOCHEM.,35,1527(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)86890-9 |
| Molecular Weight | 1697.789 g/mol |
| Solvent | C6D6 |
| Source File Reference | UWLU25302 |