SpectraBase Compound ID | AyiwqTMSydM |
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InChI | InChI=1S/C44H71NO12/c1-10-31-18-25(2)17-26(3)19-37(53-8)40-38(54-9)21-28(5)44(51,57-40)43(24-55-43)42(50)45-16-12-11-13-32(45)41(49)56-39(29(6)34(47)23-35(31)48)27(4)20-30-14-15-33(46)36(22-30)52-7/h18,20,26,28-34,36-40,46-47,51H,10-17,19,21-24H2,1-9H3/b25-18+,27-20+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,43+,44+/m0/s1 |
InChIKey | VZDNBUDUQQAHJB-XDMRINQJSA-N |
Mol Weight | 806.0 g/mol |
Molecular Formula | C44H71NO12 |
Exact Mass | 805.497627 g/mol |
SpectraBase Spectrum ID | 3kKPapPjDLB |
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Name | VZDNBUDUQQAHJB-XDMRINQJSA-N |
Compound Number | 4A |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C44H71NO12 |
InChI | InChI=1S/C44H71NO12/c1-10-31-18-25(2)17-26(3)19-37(53-8)40-38(54-9)21-28(5)44(51,57-40)43(24-55-43)42(50)45-16-12-11-13-32(45)41(49)56-39(29(6)34(47)23-35(31)48)27(4)20-30-14-15-33(46)36(22-30)52-7/h18,20,26,28-34,36-40,46-47,51H,10-17,19,21-24H2,1-9H3/b25-18+,27-20+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,43+,44+/m0/s1 |
InChIKey | VZDNBUDUQQAHJB-XDMRINQJSA-N |
Literature Reference Author | K.BAUMANN,K.HOEGENAUER,G.SCHULZ,A.STECK |
Literature Reference Citation | MAGN.RES.CHEM.,40,443(2002) |
Literature Reference DOI | 10.1002/mrc.1044 |
Molecular Weight | 806.047 g/mol |
Solvent | CDCl3 |
Source File Reference | UWKP6891 |