![6(I)-DEOXY-6(I)-[3-[6-[N-[BIS-(AMINOMETHYL)-METHYL]-CARBAMOYLPENTYL]-THIOUREIDO]-CYCLOMALTOHEPTAOSE]](/api/spectrum/DXgu86SFxBD/structure.png?h=300&w=458 "6(I)-DEOXY-6(I)-[3-[6-[N-[BIS-(AMINOMETHYL)-METHYL]-CARBAMOYLPENTYL]-THIOUREIDO]-CYCLOMALTOHEPTAOSE]")
| SpectraBase Compound ID | AOVMopd8usC |
|---|---|
| InChI | InChI=1S/C52H91N5O35S/c53-6-15(7-54)57-23(64)4-2-1-3-5-55-52(93)56-8-16-38-24(65)31(72)45(79-16)87-39-17(9-58)81-47(33(74)26(39)67)89-41-19(11-60)83-49(35(76)28(41)69)91-43-21(13-62)85-51(37(78)30(43)71)92-44-22(14-63)84-50(36(77)29(44)70)90-42-20(12-61)82-48(34(75)27(42)68)88-40-18(10-59)80-46(86-38)32(73)25(40)66/h15-22,24-51,58-63,65-78H,1-14,53-54H2,(H,57,64)(H2,55,56,93)/t16-,17+,18-,19+,20+,21+,22+,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+,49+,50+,51+/m0/s1 |
| InChIKey | GGNPLKCOHLPBPF-STRGIVRZSA-N |
| Mol Weight | 1378.4 g/mol |
| Molecular Formula | C52H91N5O35S |
| Exact Mass | 1377.521531 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DXgu86SFxBD |
|---|---|
| Name | 6(I)-DEOXY-6(I)-[3-[6-[N-[BIS-(AMINOMETHYL)-METHYL]-CARBAMOYLPENTYL]-THIOUREIDO]-CYCLOMALTOHEPTAOSE] |
| Compound Number | 20 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H91N5O35S |
| InChI | InChI=1S/C52H91N5O35S/c53-6-15(7-54)57-23(64)4-2-1-3-5-55-52(93)56-8-16-38-24(65)31(72)45(79-16)87-39-17(9-58)81-47(33(74)26(39)67)89-41-19(11-60)83-49(35(76)28(41)69)91-43-21(13-62)85-51(37(78)30(43)71)92-44-22(14-63)84-50(36(77)29(44)70)90-42-20(12-61)82-48(34(75)27(42)68)88-40-18(10-59)80-46(86-38)32(73)25(40)66/h15-22,24-51,58-63,65-78H,1-14,53-54H2,(H,57,64)(H2,55,56,93)/t16-,17+,18-,19+,20+,21+,22+,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+,49+,50+,51+/m0/s1 |
| InChIKey | GGNPLKCOHLPBPF-STRGIVRZSA-N |
| Literature Reference Author | J.M.BENITO,M.GOMEZ-GARCIA,C.O.MELLET,I.BAUSSANNE,J.DEFAYE,J. M.G.FERNANDEZ |
| Literature Reference Citation | J.AM.CHEM.SOC.,126,10355(2004) |
| Literature Reference DOI | 10.1021/ja047864v |
| Molecular Weight | 1378.367 g/mol |
| Sample ID | 27886 |
| Solvent | D2O |