| SpectraBase Compound ID | 78URvvsPElQ |
|---|---|
| InChI | InChI=1S/C63H72O13/c64-36-53-55(65-37-46-22-8-1-9-23-46)57(67-39-48-26-12-3-13-27-48)59(69-41-50-30-16-5-17-31-50)62(74-53)72-45-54-56(66-38-47-24-10-2-11-25-47)58(68-40-49-28-14-4-15-29-49)60(70-42-51-32-18-6-19-33-51)61(75-54)71-43-52-44-73-63(76-52)34-20-7-21-35-63/h1-6,8-19,22-33,52-62,64H,7,20-21,34-45H2/t52-,53-,54+,55-,56+,57+,58-,59-,60+,61+,62-/m0/s1 |
| InChIKey | LFBARHKBFMORRS-UBGSNTJNSA-N |
| Mol Weight | 1037.3 g/mol |
| Molecular Formula | C63H72O13 |
| Exact Mass | 1036.497292 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ipYZGN2cI4 |
|---|---|
| Name | LFBARHKBFMORRS-UBGSNTJNSA-N |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H72O13 |
| InChI | InChI=1S/C63H72O13/c64-36-53-55(65-37-46-22-8-1-9-23-46)57(67-39-48-26-12-3-13-27-48)59(69-41-50-30-16-5-17-31-50)62(74-53)72-45-54-56(66-38-47-24-10-2-11-25-47)58(68-40-49-28-14-4-15-29-49)60(70-42-51-32-18-6-19-33-51)61(75-54)71-43-52-44-73-63(76-52)34-20-7-21-35-63/h1-6,8-19,22-33,52-62,64H,7,20-21,34-45H2/t52-,53-,54+,55-,56+,57+,58-,59-,60+,61+,62-/m0/s1 |
| InChIKey | LFBARHKBFMORRS-UBGSNTJNSA-N |
| Literature Reference Author | W.F.J.HOGENDORF,V.JAGALSKI,T.G.POMORSKI,M.BOLS,M.CARDENAS,C. M.PEDERSEN |
| Literature Reference Citation | MOLECULES,18,13546(2013) |
| Literature Reference DOI | 10.3390/molecules181113546 |
| Molecular Weight | 1037.257 g/mol |
| Solvent | Unknown |
| Source File Reference | UWIR9850 |