![2-[(7-ALPHA-O-10-METHYL-7-ISOALLOXAZINO)-METHYL]-ALPHA-CYCLODEXTRIN](/api/spectrum/8cMTke5sR0V/structure.png?h=300&w=458 "2-[(7-ALPHA-O-10-METHYL-7-ISOALLOXAZINO)-METHYL]-ALPHA-CYCLODEXTRIN")
| SpectraBase Compound ID | LxbCAShk3nT |
|---|---|
| InChI | InChI=1S/C48H68N4O32/c1-52-14-3-2-12(4-13(14)49-21-40(52)50-48(71)51-41(21)70)11-72-39-32(69)38-20(10-58)78-47(39)84-37-19(9-57)77-45(31(68)26(37)63)82-35-17(7-55)75-43(29(66)24(35)61)80-33-15(5-53)73-42(27(64)22(33)59)79-34-16(6-54)74-44(28(65)23(34)60)81-36-18(8-56)76-46(83-38)30(67)25(36)62/h2-4,15-20,22-39,42-47,53-69H,5-11H2,1H3,(H,51,70,71)/t15-,16+,17+,18-,19-,20+,22-,23+,24+,25-,26-,27-,28+,29+,30-,31-,32-,33-,34+,35+,36-,37-,38+,39+,42-,43+,44+,45-,46-,47+/m0/s1 |
| InChIKey | HDYAHZAGVPCTOY-QAYYORFKSA-N |
| Mol Weight | 1213.1 g/mol |
| Molecular Formula | C48H68N4O32 |
| Exact Mass | 1212.381666 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8cMTke5sR0V |
|---|---|
| Name | 2-[(7-ALPHA-O-10-METHYL-7-ISOALLOXAZINO)-METHYL]-ALPHA-CYCLODEXTRIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H68N4O32 |
| InChI | InChI=1S/C48H68N4O32/c1-52-14-3-2-12(4-13(14)49-21-40(52)50-48(71)51-41(21)70)11-72-39-32(69)38-20(10-58)78-47(39)84-37-19(9-57)77-45(31(68)26(37)63)82-35-17(7-55)75-43(29(66)24(35)61)80-33-15(5-53)73-42(27(64)22(33)59)79-34-16(6-54)74-44(28(65)23(34)60)81-36-18(8-56)76-46(83-38)30(67)25(36)62/h2-4,15-20,22-39,42-47,53-69H,5-11H2,1H3,(H,51,70,71)/t15-,16+,17+,18-,19-,20+,22-,23+,24+,25-,26-,27-,28+,29+,30-,31-,32-,33-,34+,35+,36-,37-,38+,39+,42-,43+,44+,45-,46-,47+/m0/s1 |
| InChIKey | HDYAHZAGVPCTOY-QAYYORFKSA-N |
| Literature Reference Author | D.RONG,H.YE,T.R.BOEHLOW,V.T.D'SOUZA |
| Literature Reference Citation | J.ORG.CHEM.,57,163(1992) |
| Literature Reference DOI | 10.1021/jo00027a031 |
| Molecular Weight | 1213.076 g/mol |
| Solvent | D2O |
| Source File Reference | UWCS561 |