| SpectraBase Compound ID | ElqJ5SV4dlu |
|---|---|
| InChI | InChI=1S/C91H182O35Si7/c1-85(2,3)127(29,30)120-64-57-50(43-92)106-78(71(64)99-22)114-58-51(44-93)108-80(73(101-24)65(58)121-128(31,32)86(4,5)6)116-60-53(46-95)110-82(75(103-26)67(60)123-130(35,36)88(10,11)12)118-62-55(48-97)112-84(77(105-28)69(62)125-132(39,40)90(16,17)18)119-63-56(49-98)111-83(76(104-27)70(63)126-133(41,42)91(19,20)21)117-61-54(47-96)109-81(74(102-25)68(61)124-131(37,38)89(13,14)15)115-59-52(45-94)107-79(113-57)72(100-23)66(59)122-129(33,34)87(7,8)9/h50-84,92-98H,43-49H2,1-42H3/t50-,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-,83-,84-/m1/s1 |
| InChIKey | GLFPNBSGUBBDSO-XEHVGNMASA-N |
| Mol Weight | 2033.0 g/mol |
| Molecular Formula | C91H182O35Si7 |
| Exact Mass | 2031.084653 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A9GQzejEFp7 |
|---|---|
| Name | HEPTAKIS-(2-O-METHYL-3-O-TERT.-BUTYLDIMETHYLSILYL)-CYCLOMALTOHEPTAOSE |
| Compound Number | 9A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C91H182O35Si7 |
| InChI | InChI=1S/C91H182O35Si7/c1-85(2,3)127(29,30)120-64-57-50(43-92)106-78(71(64)99-22)114-58-51(44-93)108-80(73(101-24)65(58)121-128(31,32)86(4,5)6)116-60-53(46-95)110-82(75(103-26)67(60)123-130(35,36)88(10,11)12)118-62-55(48-97)112-84(77(105-28)69(62)125-132(39,40)90(16,17)18)119-63-56(49-98)111-83(76(104-27)70(63)126-133(41,42)91(19,20)21)117-61-54(47-96)109-81(74(102-25)68(61)124-131(37,38)89(13,14)15)115-59-52(45-94)107-79(113-57)72(100-23)66(59)122-129(33,34)87(7,8)9/h50-84,92-98H,43-49H2,1-42H3/t50-,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-,83-,84-/m1/s1 |
| InChIKey | GLFPNBSGUBBDSO-XEHVGNMASA-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 | 2033.024 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU85356 |