| SpectraBase Compound ID | 743eqSmuptB |
|---|---|
| InChI | InChI=1S/C75H94O16/c1-53-64(80-47-57-33-19-13-20-34-57)67(83-50-60-39-25-16-26-40-60)72(73(86-53)79-46-32-12-10-8-6-7-9-11-31-45-63(77)78-5)91-75-71(85-52-62-43-29-18-30-44-62)69(66(55(3)88-75)82-49-59-37-23-15-24-38-59)90-74-70(84-51-61-41-27-17-28-42-61)68(89-56(4)76)65(54(2)87-74)81-48-58-35-21-14-22-36-58/h13-30,33-44,53-55,64-75H,6-12,31-32,45-52H2,1-5H3/t53-,54+,55+,64-,65+,66+,67+,68-,69-,70-,71-,72+,73-,74+,75+/m0/s1 |
| InChIKey | MRTOMMBBLTZOBL-KHLGOTPRSA-N |
| Mol Weight | 1251.6 g/mol |
| Molecular Formula | C75H94O16 |
| Exact Mass | 1250.654187 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FqdPjwNkm6V |
|---|---|
| Name | MRTOMMBBLTZOBL-KHLGOTPRSA-N |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C75H94O16 |
| InChI | InChI=1S/C75H94O16/c1-53-64(80-47-57-33-19-13-20-34-57)67(83-50-60-39-25-16-26-40-60)72(73(86-53)79-46-32-12-10-8-6-7-9-11-31-45-63(77)78-5)91-75-71(85-52-62-43-29-18-30-44-62)69(66(55(3)88-75)82-49-59-37-23-15-24-38-59)90-74-70(84-51-61-41-27-17-28-42-61)68(89-56(4)76)65(54(2)87-74)81-48-58-35-21-14-22-36-58/h13-30,33-44,53-55,64-75H,6-12,31-32,45-52H2,1-5H3/t53-,54+,55+,64-,65+,66+,67+,68-,69-,70-,71-,72+,73-,74+,75+/m0/s1 |
| InChIKey | MRTOMMBBLTZOBL-KHLGOTPRSA-N |
| Literature Reference Author | W.ZOU,A.J.SEN,W.A.SZAREK,D.B.MACLEAN |
| Literature Reference Citation | CAN.J.CHEM.,71,2194(1993) |
| Literature Reference DOI | 10.1139/v93-275 |
| Molecular Weight | 1251.562 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVP5729 |