SpectraBase Compound ID | EZ7t4oLMKyx |
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InChI | InChI=1S/C60H98O/c1-49(2)25-14-26-50(3)27-15-28-51(4)29-16-30-52(5)31-17-32-53(6)33-18-34-54(7)35-19-36-55(8)37-20-38-56(9)39-21-40-57(10)41-22-42-58(11)43-23-44-59(12)45-24-46-60(13)47-48-61/h25,27,29,31,33,35,37,39,41,43,45,47,61H,14-24,26,28,30,32,34,36,38,40,42,44,46,48H2,1-13H3/b50-27+,51-29-,52-31-,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-,59-45-,60-47- |
InChIKey | BDMCAOBQLHJGBE-IKHYFIKWSA-N |
Mol Weight | 835.4 g/mol |
Molecular Formula | C60H98O |
Exact Mass | 834.761768 g/mol |
SpectraBase Spectrum ID | BbF70LinzEH |
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Name | ARACHISPRENOL-12 |
Compound Number | 11 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C60H98O |
InChI | InChI=1S/C60H98O/c1-49(2)25-14-26-50(3)27-15-28-51(4)29-16-30-52(5)31-17-32-53(6)33-18-34-54(7)35-19-36-55(8)37-20-38-56(9)39-21-40-57(10)41-22-42-58(11)43-23-44-59(12)45-24-46-60(13)47-48-61/h25,27,29,31,33,35,37,39,41,43,45,47,61H,14-24,26,28,30,32,34,36,38,40,42,44,46,48H2,1-13H3/b50-27+,51-29-,52-31-,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-,59-45-,60-47- |
InChIKey | BDMCAOBQLHJGBE-IKHYFIKWSA-N |
Literature Reference Author | T.AOKI,K.MATSUO,T.SUGA,S.OHTA |
Literature Reference Citation | PHYTOCHEM.,46,715(1997) |
Literature Reference DOI | 10.1016/s0031-9422(97)00206-9 |
Molecular Weight | 835.438 g/mol |
Sample ID | 44922 |
Solvent | CDCl3 |