| SpectraBase Compound ID | 8bpgVqXa8Cs |
|---|---|
| InChI | InChI=1S/C82H109N3O54/c1-28(86)106-22-49-56-63(113-35(8)93)71(121-43(16)101)78(128-49)136-58-51(24-108-30(3)88)130-80(73(123-45(18)103)65(58)115-37(10)95)138-60-53(26-110-32(5)90)132-82(75(125-47(20)105)67(60)117-39(12)97)139-61-54(27-111-33(6)91)131-81(74(124-46(19)104)68(61)118-40(13)98)137-59-52(25-109-31(4)89)129-79(72(122-44(17)102)66(59)116-38(11)96)135-57-50(23-107-29(2)87)127-77(70(120-42(15)100)64(57)114-36(9)94)133-55-48(21-84-85-83)126-76(134-56)69(119-41(14)99)62(55)112-34(7)92/h48-82H,21-27H2,1-20H3/t48-,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+,78+,79+,80+,81+,82+/m0/s1 |
| InChIKey | HGFMTOYRNCROSF-WLKBAMJMSA-N |
| Mol Weight | 2000.7 g/mol |
| Molecular Formula | C82H109N3O54 |
| Exact Mass | 1999.58754 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BpijCDi9cpq |
|---|---|
| Name | PERACETYLATED-6-AZIDO-6-DEOXY-BETA-CYCLODEXTRIN |
| Compound Number | 10A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C82H109N3O54 |
| InChI | InChI=1S/C82H109N3O54/c1-28(86)106-22-49-56-63(113-35(8)93)71(121-43(16)101)78(128-49)136-58-51(24-108-30(3)88)130-80(73(123-45(18)103)65(58)115-37(10)95)138-60-53(26-110-32(5)90)132-82(75(125-47(20)105)67(60)117-39(12)97)139-61-54(27-111-33(6)91)131-81(74(124-46(19)104)68(61)118-40(13)98)137-59-52(25-109-31(4)89)129-79(72(122-44(17)102)66(59)116-38(11)96)135-57-50(23-107-29(2)87)127-77(70(120-42(15)100)64(57)114-36(9)94)133-55-48(21-84-85-83)126-76(134-56)69(119-41(14)99)62(55)112-34(7)92/h48-82H,21-27H2,1-20H3/t48-,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+,78+,79+,80+,81+,82+/m0/s1 |
| InChIKey | HGFMTOYRNCROSF-WLKBAMJMSA-N |
| Literature Reference Author | A.G.MOLINA,V.KUNGURTSEV,P.VIRTA,H.LOENNBERG |
| Literature Reference Citation | MOLECULES,17,12102(2012) |
| Literature Reference DOI | 10.3390/molecules171012102 |
| Molecular Weight | 2000.755 g/mol |
| Sample ID | 1542 |
| Solvent | DMSO-D6 |