![HEPTAKIS-[3,6-BIS-(N'-ETHYLUREIDO)-3,6-DIDEOXY]-BETA-CYCLOALTRIN](/api/spectrum/CHuR16SzzKm/structure.png?h=300&w=458 "HEPTAKIS-[3,6-BIS-(N'-ETHYLUREIDO)-3,6-DIDEOXY]-BETA-CYCLOALTRIN")
| SpectraBase Compound ID | BmIvsmFSaoG |
|---|---|
| InChI | InChI=1S/C84H154N28O35/c1-15-85-71(120)99-29-36-57-43(106-78(127)92-22-8)50(113)64(134-36)142-58-37(30-100-72(121)86-16-2)136-66(52(115)45(58)108-80(129)94-24-10)144-60-39(32-102-74(123)88-18-4)138-68(54(117)47(60)110-82(131)96-26-12)146-62-41(34-104-76(125)90-20-6)140-70(56(119)49(62)112-84(133)98-28-14)147-63-42(35-105-77(126)91-21-7)139-69(55(118)48(63)111-83(132)97-27-13)145-61-40(33-103-75(124)89-19-5)137-67(53(116)46(61)109-81(130)95-25-11)143-59-38(31-101-73(122)87-17-3)135-65(141-57)51(114)44(59)107-79(128)93-23-9/h36-70,113-119H,15-35H2,1-14H3,(H2,85,99,120)(H2,86,100,121)(H2,87,101,122)(H2,88,102,123)(H2,89,103,124)(H2,90,104,125)(H2,91,105,126)(H2,92,106,127)(H2,93,107,128)(H2,94,108,129)(H2,95,109,130)(H2,96,110,131)(H2,97,111,132)(H2,98,112,133)/t36-,37-,38-,39-,40-,41-,42-,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1 |
| InChIKey | CBDOWZAVJSZVIV-NUZXILFKSA-N |
| Mol Weight | 2116.3 g/mol |
| Molecular Formula | C84H154N28O35 |
| Exact Mass | 2115.113139 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | CHuR16SzzKm |
|---|---|
| Name | HEPTAKIS-[3,6-BIS-(N'-ETHYLUREIDO)-3,6-DIDEOXY]-BETA-CYCLOALTRIN |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C84H154N28O35 |
| InChI | InChI=1S/C84H154N28O35/c1-15-85-71(120)99-29-36-57-43(106-78(127)92-22-8)50(113)64(134-36)142-58-37(30-100-72(121)86-16-2)136-66(52(115)45(58)108-80(129)94-24-10)144-60-39(32-102-74(123)88-18-4)138-68(54(117)47(60)110-82(131)96-26-12)146-62-41(34-104-76(125)90-20-6)140-70(56(119)49(62)112-84(133)98-28-14)147-63-42(35-105-77(126)91-21-7)139-69(55(118)48(63)111-83(132)97-27-13)145-61-40(33-103-75(124)89-19-5)137-67(53(116)46(61)109-81(130)95-25-11)143-59-38(31-101-73(122)87-17-3)135-65(141-57)51(114)44(59)107-79(128)93-23-9/h36-70,113-119H,15-35H2,1-14H3,(H2,85,99,120)(H2,86,100,121)(H2,87,101,122)(H2,88,102,123)(H2,89,103,124)(H2,90,104,125)(H2,91,105,126)(H2,92,106,127)(H2,93,107,128)(H2,94,108,129)(H2,95,109,130)(H2,96,110,131)(H2,97,111,132)(H2,98,112,133)/t36-,37-,38-,39-,40-,41-,42-,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1 |
| InChIKey | CBDOWZAVJSZVIV-NUZXILFKSA-N |
| Literature Reference Author | J.M.CASAS-SOLVAS,F.ORTEGA-CABALLERO,J.J.GIMENEZ-MARTINEZ,A.V ARGAS-BERENGUEL |
| Literature Reference Citation | J.ORG.CHEM.,69,8942(2004) |
| Literature Reference DOI | 10.1021/jo0488457 |
| Molecular Weight | 2116.313 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN23023 |