| SpectraBase Compound ID | LSuvHAwH9Rk |
|---|---|
| InChI | InChI=1S/C62H111NO34/c1-64-22-29-36-43(71-8)51(79-16)58(86-29)94-38-31(24-66-3)88-60(53(81-18)45(38)73-10)96-40-33(26-68-5)90-62(55(83-20)47(40)75-12)97-41-34(27-69-6)89-61(54(82-19)48(41)76-13)95-39-32(25-67-4)87-59(52(80-17)46(39)74-11)93-37-30(23-65-2)85-57(50(78-15)44(37)72-9)91-35-28(21-63)84-56(92-36)49(77-14)42(35)70-7/h28-62H,21-27,63H2,1-20H3/t28-,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+,62+/m0/s1 |
| InChIKey | HBOZSVVDCDBTLC-IJRHZAERSA-N |
| Mol Weight | 1414.5 g/mol |
| Molecular Formula | C62H111NO34 |
| Exact Mass | 1413.69875 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6n5Kr3GT37p |
|---|---|
| Name | #1;6(A)-AMINO-6(A)-DEOXY-PER-O-METHYLATED-BETA-CYCLODEXTRIN;6(A)-DEOXY-2(A),3(A)-DI-O-METHYLHEXAKIS-(2-(A-G),3(B-G),6(B-G)-TRI-METHYL)-CYCLO |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H111NO34 |
| InChI | InChI=1S/C62H111NO34/c1-64-22-29-36-43(71-8)51(79-16)58(86-29)94-38-31(24-66-3)88-60(53(81-18)45(38)73-10)96-40-33(26-68-5)90-62(55(83-20)47(40)75-12)97-41-34(27-69-6)89-61(54(82-19)48(41)76-13)95-39-32(25-67-4)87-59(52(80-17)46(39)74-11)93-37-30(23-65-2)85-57(50(78-15)44(37)72-9)91-35-28(21-63)84-56(92-36)49(77-14)42(35)70-7/h28-62H,21-27,63H2,1-20H3/t28-,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+,62+/m0/s1 |
| InChIKey | HBOZSVVDCDBTLC-IJRHZAERSA-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 | 1414.550 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ46105 |