| SpectraBase Compound ID | 35L2SFm59v9 |
|---|---|
| InChI | InChI=1S/C70H112O35/c1-15-22-85-57-43(71)50-36(29-78-8)92-64(57)99-51-37(30-79-9)93-66(58(44(51)72)86-23-16-2)101-53-39(32-81-11)95-68(60(46(53)74)88-25-18-4)103-55-41(34-83-13)97-70(62(48(55)76)90-27-20-6)105-56-42(35-84-14)98-69(63(49(56)77)91-28-21-7)104-54-40(33-82-12)96-67(61(47(54)75)89-26-19-5)102-52-38(31-80-10)94-65(100-50)59(45(52)73)87-24-17-3/h15-21,36-77H,1-7,22-35H2,8-14H3/t36-,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+,64-,65-,66-,67-,68-,69+,70-/m0/s1 |
| InChIKey | DKEQXSITHLRFIY-KRFPOHQESA-N |
| Mol Weight | 1513.6 g/mol |
| Molecular Formula | C70H112O35 |
| Exact Mass | 1512.698415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EimhhmFU1X8 |
|---|---|
| Name | HEPTAKIS-(2-O-ALLYL-6-O-METHYL)-CYCLOMALTOHEPTAOSE |
| Compound Number | 26 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C70H112O35 |
| InChI | InChI=1S/C70H112O35/c1-15-22-85-57-43(71)50-36(29-78-8)92-64(57)99-51-37(30-79-9)93-66(58(44(51)72)86-23-16-2)101-53-39(32-81-11)95-68(60(46(53)74)88-25-18-4)103-55-41(34-83-13)97-70(62(48(55)76)90-27-20-6)105-56-42(35-84-14)98-69(63(49(56)77)91-28-21-7)104-54-40(33-82-12)96-67(61(47(54)75)89-26-19-5)102-52-38(31-80-10)94-65(100-50)59(45(52)73)87-24-17-3/h15-21,36-77H,1-7,22-35H2,8-14H3/t36-,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+,64-,65-,66-,67-,68-,69+,70-/m0/s1 |
| InChIKey | DKEQXSITHLRFIY-KRFPOHQESA-N |
| Literature Reference Author | J.GU,T.CHEN,P.ZHANG,C.C.LING |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2014,5793(2014) |
| Literature Reference DOI | 10.1002/ejoc.201402802 |
| Molecular Weight | 1513.638 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU85358 |