| SpectraBase Compound ID | GzVGNJz8DUa |
|---|---|
| InChI | InChI=1S/C63H112O35/c1-64-22-29-36-43(71-8)50(78-15)57(85-29)93-37-30(23-65-2)87-59(52(80-17)44(37)72-9)95-39-32(25-67-4)89-61(54(82-19)46(39)74-11)97-41-34(27-69-6)91-63(56(84-21)48(41)76-13)98-42-35(28-70-7)90-62(55(83-20)49(42)77-14)96-40-33(26-68-5)88-60(53(81-18)47(40)75-12)94-38-31(24-66-3)86-58(92-36)51(79-16)45(38)73-10/h29-63H,22-28H2,1-21H3/t29-,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+,63+/m0/s1 |
| InChIKey | DSDAICPXUXPBCC-YVJURFEKSA-N |
| Mol Weight | 1429.6 g/mol |
| Molecular Formula | C63H112O35 |
| Exact Mass | 1428.698415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3qAY530tBUQ |
|---|---|
| Name | HEPTAKIS-(2,3,6-TRI-O-METHYL)-BETA-CYCLODEXTRIN;TRIMEB |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H112O35 |
| InChI | InChI=1S/C63H112O35/c1-64-22-29-36-43(71-8)50(78-15)57(85-29)93-37-30(23-65-2)87-59(52(80-17)44(37)72-9)95-39-32(25-67-4)89-61(54(82-19)46(39)74-11)97-41-34(27-69-6)91-63(56(84-21)48(41)76-13)98-42-35(28-70-7)90-62(55(83-20)49(42)77-14)96-40-33(26-68-5)88-60(53(81-18)47(40)75-12)94-38-31(24-66-3)86-58(92-36)51(79-16)45(38)73-10/h29-63H,22-28H2,1-21H3/t29-,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+,63+/m0/s1 |
| InChIKey | DSDAICPXUXPBCC-YVJURFEKSA-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 | 1429.561 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ46107 |