![PER-6-[(2-HYDROXYETHYL)-AMINO]-6-DEOXY-ALPHA-CYClODEXTRIN](/api/spectrum/3CL1KxQ8iUK/structure.png?h=300&w=458 "PER-6-[(2-HYDROXYETHYL)-AMINO]-6-DEOXY-ALPHA-CYClODEXTRIN")
| SpectraBase Compound ID | 1dVgCLqIOqQ |
|---|---|
| InChI | InChI=1S/C48H90N6O30/c55-7-1-49-13-19-37-25(61)31(67)43(73-19)80-38-20(14-50-2-8-56)75-45(33(69)27(38)63)82-40-22(16-52-4-10-58)77-47(35(71)29(40)65)84-42-24(18-54-6-12-60)78-48(36(72)30(42)66)83-41-23(17-53-5-11-59)76-46(34(70)28(41)64)81-39-21(15-51-3-9-57)74-44(79-37)32(68)26(39)62/h19-72H,1-18H2/t19-,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-,47-,48- |
| InChIKey | PEPRAVUYZOHKFQ-IDDWHMGNSA-N |
| Mol Weight | 1231.3 g/mol |
| Molecular Formula | C48H90N6O30 |
| Exact Mass | 1230.570135 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3CL1KxQ8iUK |
|---|---|
| Name | PER-6-[(2-HYDROXYETHYL)-AMINO]-6-DEOXY-ALPHA-CYClODEXTRIN |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H90N6O30 |
| InChI | InChI=1S/C48H90N6O30/c55-7-1-49-13-19-37-25(61)31(67)43(73-19)80-38-20(14-50-2-8-56)75-45(33(69)27(38)63)82-40-22(16-52-4-10-58)77-47(35(71)29(40)65)84-42-24(18-54-6-12-60)78-48(36(72)30(42)66)83-41-23(17-53-5-11-59)76-46(34(70)28(41)64)81-39-21(15-51-3-9-57)74-44(79-37)32(68)26(39)62/h19-72H,1-18H2/t19-,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-,47-,48- |
| InChIKey | PEPRAVUYZOHKFQ-IDDWHMGNSA-N |
| Literature Reference Author | D.VIZITIU,C.S.WALKINSHAW,B.I.GORIN,G.R.J.THATCHER |
| Literature Reference Citation | J.ORG.CHEM.,62,8760(1997) |
| Literature Reference DOI | 10.1021/jo9711549 |
| Molecular Weight | 1231.265 g/mol |
| Solvent | D2O |
| Source File Reference | UWSP775 |