| SpectraBase Compound ID | BIJqxSaCn3w |
|---|---|
| InChI | InChI=1S/C46H74O30/c47-6-16-34-22(53)27(58)41(64-16)71-35-17(7-48)65-43(28(59)23(35)54)73-37-19(9-50)67-45(30(61)25(37)56)75-39-21(11-52)69-46(40(32(39)63)70-33-14-2-12-1-13(4-14)5-15(33)3-12)76-38-20(10-51)68-44(31(62)26(38)57)74-36-18(8-49)66-42(72-34)29(60)24(36)55/h12-63H,1-11H2/t12-,13+,14-,15+,16-,17-,18-,19-,20-,21+,22-,23-,24-,25-,26-,27-,28-,29-,30?,31-,32-,33-,34-,35-,36-,37-,38-,39+,40+,41-,42-,43-,44-,45-,46+/m0/s1 |
| InChIKey | UCQXGSZQZFSJBQ-WRWXTYSOSA-N |
| Mol Weight | 1107.1 g/mol |
| Molecular Formula | C46H74O30 |
| Exact Mass | 1106.426491 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ElZDMHkebNZ |
|---|---|
| Name | 2-O-(2-ADAMANTYL)-ALPHA-CYCLODEXTRIN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H74O30 |
| InChI | InChI=1S/C46H74O30/c47-6-16-34-22(53)27(58)41(64-16)71-35-17(7-48)65-43(28(59)23(35)54)73-37-19(9-50)67-45(30(61)25(37)56)75-39-21(11-52)69-46(40(32(39)63)70-33-14-2-12-1-13(4-14)5-15(33)3-12)76-38-20(10-51)68-44(31(62)26(38)57)74-36-18(8-49)66-42(72-34)29(60)24(36)55/h12-63H,1-11H2/t12-,13+,14-,15+,16-,17-,18-,19-,20-,21+,22-,23-,24-,25-,26-,27-,28-,29-,30?,31-,32-,33-,34-,35-,36-,37-,38-,39+,40+,41-,42-,43-,44-,45-,46+/m0/s1 |
| InChIKey | UCQXGSZQZFSJBQ-WRWXTYSOSA-N |
| Literature Reference Author | D.KROIS,M.M.BOBEK,A.WERNER,H.KAEHLIG,U.H.BRINKER |
| Literature Reference Citation | ORG.LETTERS,2,315(2000) |
| Literature Reference DOI | 10.1021/ol9912635 |
| Molecular Weight | 1107.076 g/mol |
| Solvent | Unknown |
| Source File Reference | UWSI25786 |