| SpectraBase Compound ID | CEQZBoKLEcN |
|---|---|
| InChI | InChI=1S/C80H104N18O36/c99-19-49-57(105)63(111)69(117)75(129-49)123-25-37-13-93(87-81-37)7-31-1-43-44(2-32(31)8-94-14-38(82-88-94)26-124-76-70(118)64(112)58(106)50(20-100)130-76)56-47-5-35(11-97-17-41(85-91-97)29-127-79-73(121)67(115)61(109)53(23-103)133-79)33(9-95-15-39(83-89-95)27-125-77-71(119)65(113)59(107)51(21-101)131-77)3-45(47)55(43)46-4-34(10-96-16-40(84-90-96)28-126-78-72(120)66(114)60(108)52(22-102)132-78)36(6-48(46)56)12-98-18-42(86-92-98)30-128-80-74(122)68(116)62(110)54(24-104)134-80/h1-6,13-18,49-80,99-122H,7-12,19-30H2/t49-,50-,51-,52-,53-,54-,55-,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-/m0/s1 |
| InChIKey | WAOFZYOOEIAQQS-JDOVXRGWSA-N |
| Mol Weight | 1893.8 g/mol |
| Molecular Formula | C80H104N18O36 |
| Exact Mass | 1892.686062 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | YXfZo4tf8F |
|---|---|
| Name | WAOFZYOOEIAQQS-JDOVXRGWSA-N |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C80H104N18O36 |
| InChI | InChI=1S/C80H104N18O36/c99-19-49-57(105)63(111)69(117)75(129-49)123-25-37-13-93(87-81-37)7-31-1-43-44(2-32(31)8-94-14-38(82-88-94)26-124-76-70(118)64(112)58(106)50(20-100)130-76)56-47-5-35(11-97-17-41(85-91-97)29-127-79-73(121)67(115)61(109)53(23-103)133-79)33(9-95-15-39(83-89-95)27-125-77-71(119)65(113)59(107)51(21-101)131-77)3-45(47)55(43)46-4-34(10-96-16-40(84-90-96)28-126-78-72(120)66(114)60(108)52(22-102)132-78)36(6-48(46)56)12-98-18-42(86-92-98)30-128-80-74(122)68(116)62(110)54(24-104)134-80/h1-6,13-18,49-80,99-122H,7-12,19-30H2/t49-,50-,51-,52-,53-,54-,55-,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-/m0/s1 |
| InChIKey | WAOFZYOOEIAQQS-JDOVXRGWSA-N |
| Literature Reference Author | P.BONACCORSI,M.L.DIGIOIA,A.LEGGIO,L.MINUTI,T.PAPALIA,C.SICIL IANO,A.TEMPERINI,A.B |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,9,2410(2013) |
| Literature Reference DOI | 10.3762/bjoc.9.278 |
| Molecular Weight | 1893.805 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU77819 |