![HEPTAKIS-[2,3-DI-O-(2-HYDROXYETHYL)-6-O-METHYL]-BETA-CYCLODEXTRIN](/api/spectrum/LAsWC3CZhvL/structure.png?h=300&w=458 "HEPTAKIS-[2,3-DI-O-(2-HYDROXYETHYL)-6-O-METHYL]-BETA-CYCLODEXTRIN")
| SpectraBase Compound ID | LaYhbJF18LW |
|---|---|
| InChI | InChI=1S/C77H140O49/c1-92-36-43-50-57(99-22-8-78)64(106-29-15-85)71(113-43)121-51-44(37-93-2)115-73(66(108-31-17-87)58(51)100-23-9-79)123-53-46(39-95-4)117-75(68(110-33-19-89)60(53)102-25-11-81)125-55-48(41-97-6)119-77(70(112-35-21-91)62(55)104-27-13-83)126-56-49(42-98-7)118-76(69(111-34-20-90)63(56)105-28-14-84)124-54-47(40-96-5)116-74(67(109-32-18-88)61(54)103-26-12-82)122-52-45(38-94-3)114-72(120-50)65(107-30-16-86)59(52)101-24-10-80/h43-91H,8-42H2,1-7H3/t43-,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-,71-,72-,73-,74-,75-,76-,77-/m1/s1 |
| InChIKey | QJPHLGYUFHGCNV-MFGAOEDISA-N |
| Mol Weight | 1849.9 g/mol |
| Molecular Formula | C77H140O49 |
| Exact Mass | 1848.846321 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LAsWC3CZhvL |
|---|---|
| Name | HEPTAKIS-[2,3-DI-O-(2-HYDROXYETHYL)-6-O-METHYL]-BETA-CYCLODEXTRIN |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C77H140O49 |
| InChI | InChI=1S/C77H140O49/c1-92-36-43-50-57(99-22-8-78)64(106-29-15-85)71(113-43)121-51-44(37-93-2)115-73(66(108-31-17-87)58(51)100-23-9-79)123-53-46(39-95-4)117-75(68(110-33-19-89)60(53)102-25-11-81)125-55-48(41-97-6)119-77(70(112-35-21-91)62(55)104-27-13-83)126-56-49(42-98-7)118-76(69(111-34-20-90)63(56)105-28-14-84)124-54-47(40-96-5)116-74(67(109-32-18-88)61(54)103-26-12-82)122-52-45(38-94-3)114-72(120-50)65(107-30-16-86)59(52)101-24-10-80/h43-91H,8-42H2,1-7H3/t43-,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-,71-,72-,73-,74-,75-,76-,77-/m1/s1 |
| InChIKey | QJPHLGYUFHGCNV-MFGAOEDISA-N |
| Literature Reference Author | T.KRAUS,M.BUDESINSKY,J.ZAVADA |
| Literature Reference Citation | J.ORG.CHEM.,66,4595(2001) |
| Literature Reference DOI | 10.1021/jo010046q |
| Molecular Weight | 1849.929 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMS28044 |