![3,3,14,14,24,24,34,34,44,44,54,54,64,64,74,74-hexadecamethyl-1,5,12,16,22,26,32,36,42,46,52,56,62,66,72,76-hexadecaoxaoctaspiro[5.4.5^{11}.4.5^{21}.4.5^{31}.4.5^{41}.4.5^{51}.4.5^{61}.4.5^{71}.4^{6}]octaconta-7,9,17,19,27,29,37,39,47,49,57,59,67,69,77,79-](/api/spectrum/LJbxZ4EagPN/structure.png?h=300&w=458 "3,3,14,14,24,24,34,34,44,44,54,54,64,64,74,74-hexadecamethyl-1,5,12,16,22,26,32,36,42,46,52,56,62,66,72,76-hexadecaoxaoctaspiro[5.4.5^{11}.4.5^{21}.4.5^{31}.4.5^{41}.4.5^{51}.4.5^{61}.4.5^{71}.4^{6}]octaconta-7,9,17,19,27,29,37,39,47,49,57,59,67,69,77,79-")
| SpectraBase Compound ID | 9CQNwLNiEfx |
|---|---|
| InChI | InChI=1S/C80H80O16/c1-65(2)49-81-73(82-50-65)33-17-19-35-74(83-51-66(3,4)52-84-74)37-21-23-39-76(87-55-68(7,8)56-88-76)41-25-27-43-78(91-59-70(11,12)60-92-78)45-29-31-47-80(95-63-72(15,16)64-96-80)48-32-30-46-79(93-61-71(13,14)62-94-79)44-28-26-42-77(89-57-69(9,10)58-90-77)40-24-22-38-75(36-20-18-34-73)85-53-67(5,6)54-86-75/h49-64H2,1-16H3 |
| InChIKey | CWJQWFNIIQAJBC-UHFFFAOYSA-N |
| Mol Weight | 1297.5 g/mol |
| Molecular Formula | C80H80O16 |
| Exact Mass | 1296.544636 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LJbxZ4EagPN |
|---|---|
| Name | 3,3,14,14,24,24,34,34,44,44,54,54,64,64,74,74-hexadecamethyl-1,5,12,16,22,26,32,36,42,46,52,56,62,66,72,76-hexadecaoxaoctaspiro[5.4.5^{11}.4.5^{21}.4.5^{31}.4.5^{41}.4.5^{51}.4.5^{61}.4.5^{71}.4^{6}]octaconta-7,9,17,19,27,29,37,39,47,49,57,59,67,69,77,79- |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C80H80O16 |
| InChI | InChI=1S/C80H80O16/c1-65(2)49-81-73(82-50-65)33-17-19-35-74(83-51-66(3,4)52-84-74)37-21-23-39-76(87-55-68(7,8)56-88-76)41-25-27-43-78(91-59-70(11,12)60-92-78)45-29-31-47-80(95-63-72(15,16)64-96-80)48-32-30-46-79(93-61-71(13,14)62-94-79)44-28-26-42-77(89-57-69(9,10)58-90-77)40-24-22-38-75(36-20-18-34-73)85-53-67(5,6)54-86-75/h49-64H2,1-16H3 |
| InChIKey | CWJQWFNIIQAJBC-UHFFFAOYSA-N |
| Literature Reference Author | M.BRAKE,V.ENKELMANN,U.H.F.BUNZ |
| Literature Reference Citation | J.ORG.CHEM.,61,1190(1996) |
| Literature Reference DOI | 10.1021/jo952087q |
| Molecular Weight | 1297.506 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS21684 |