| SpectraBase Compound ID | l4YEV3eKo5 |
|---|---|
| InChI | InChI=1S/C61H110N2O33/c1-64-22-29-36-43(71-8)52(80-17)59(87-29)94-38-31(24-66-3)85-57(50(78-15)45(38)73-10)90-34-27(20-62)84-56(49(77-14)41(34)69-6)93-37-30(23-65-2)88-60(53(81-18)44(37)72-9)96-40-33(26-68-5)89-61(54(82-19)47(40)75-12)95-39-32(25-67-4)86-58(51(79-16)46(39)74-11)91-35-28(21-63)83-55(92-36)48(76-13)42(35)70-7/h27-61H,20-26,62-63H2,1-19H3/t27-,28-,29-,30-,31-,32-,33-,34+,35+,36+,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+/m0/s1 |
| InChIKey | VNPLHXHLYCNHMG-HWLIVMMHSA-N |
| Mol Weight | 1399.5 g/mol |
| Molecular Formula | C61H110N2O33 |
| Exact Mass | 1398.699084 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C5rvBoTeI5O |
|---|---|
| Name | #2;6(A),6(D)-DIAMINO-6(A),6(D)-DEOXY-PER-O-METHYL-BETA-CYCLODEXTRIN;6-(A,D)-DIAMINO-DEOXY-2-(A,D),3-(A,D)-DI-O-METHYLHEXAKIS-(2(B-G),3(B- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H110N2O33 |
| InChI | InChI=1S/C61H110N2O33/c1-64-22-29-36-43(71-8)52(80-17)59(87-29)94-38-31(24-66-3)85-57(50(78-15)45(38)73-10)90-34-27(20-62)84-56(49(77-14)41(34)69-6)93-37-30(23-65-2)88-60(53(81-18)44(37)72-9)96-40-33(26-68-5)89-61(54(82-19)47(40)75-12)95-39-32(25-67-4)86-58(51(79-16)46(39)74-11)91-35-28(21-63)83-55(92-36)48(76-13)42(35)70-7/h27-61H,20-26,62-63H2,1-19H3/t27-,28-,29-,30-,31-,32-,33-,34+,35+,36+,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+/m0/s1 |
| InChIKey | VNPLHXHLYCNHMG-HWLIVMMHSA-N |
| Literature Reference Author | E.T.DIAZ,C.K.JANKOWSKI,C.HOCQUELET,F.P.DELRIO,H.BARRIOS |
| Literature Reference Citation | CAN.J.CHEM.,86,726(2008) |
| Literature Reference DOI | 10.1139/v08-063 |
| Molecular Weight | 1399.538 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ46106 |