SpectraBase Compound ID | Kl9QvAxBSbF |
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InChI | InChI=1S/C56H88N8O13/c1-15-29-57-49(70)42-23-19-30-63(42)52(73)39(26-28-45(67)77-56(12,13)14)60-51(72)46(35(4)75-54(6,7)8)62-47(68)38(25-27-44(66)76-55(9,10)11)59-50(71)43-24-20-31-64(43)53(74)41(32-34(2)3)61-48(69)40(58-36(5)65)33-37-21-17-16-18-22-37/h15-18,21-22,34-35,38-43,46H,1,19-20,23-33H2,2-14H3,(H,57,70)(H,58,65)(H,59,71)(H,60,72)(H,61,69)(H,62,68) |
InChIKey | ROFXUKMWVLLFCV-UHFFFAOYSA-N |
Mol Weight | 1081.4 g/mol |
Molecular Formula | C56H88N8O13 |
Exact Mass | 1080.647085 g/mol |
SpectraBase Spectrum ID | AII4lxTupEZ |
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Name | ROFXUKMWVLLFCV-UHFFFAOYSA-N |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C56H88N8O13 |
InChI | InChI=1S/C56H88N8O13/c1-15-29-57-49(70)42-23-19-30-63(42)52(73)39(26-28-45(67)77-56(12,13)14)60-51(72)46(35(4)75-54(6,7)8)62-47(68)38(25-27-44(66)76-55(9,10)11)59-50(71)43-24-20-31-64(43)53(74)41(32-34(2)3)61-48(69)40(58-36(5)65)33-37-21-17-16-18-22-37/h15-18,21-22,34-35,38-43,46H,1,19-20,23-33H2,2-14H3,(H,57,70)(H,58,65)(H,59,71)(H,60,72)(H,61,69)(H,62,68) |
InChIKey | ROFXUKMWVLLFCV-UHFFFAOYSA-N |
Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2006) |
Molecular Weight | 1081.361 g/mol |
Source File Reference | MHKO20453 |