![6(I)-DEOXY-6(I)-[3-[6-[N-[BIS-(N'-TERT.-BUTOXYCARBONYLAMINOMETHYL)-METHYL]-CARBAMOYLPENTYL]-THIOUREIDO]-CYCLOMALTOHEPTAOSE]](/api/spectrum/GqA6DRGr1w5/structure.png?h=300&w=458 "6(I)-DEOXY-6(I)-[3-[6-[N-[BIS-(N'-TERT.-BUTOXYCARBONYLAMINOMETHYL)-METHYL]-CARBAMOYLPENTYL]-THIOUREIDO]-CYCLOMALTOHEPTAOSE]")
| SpectraBase Compound ID | 8sORJwTc8xA |
|---|---|
| InChI | InChI=1S/C62H107N5O39S/c1-61(2,3)105-59(89)65-12-21(13-66-60(90)106-62(4,5)6)67-29(74)10-8-7-9-11-63-58(107)64-14-22-44-30(75)37(82)51(91-22)99-45-23(15-68)93-53(39(84)32(45)77)101-47-25(17-70)95-55(41(86)34(47)79)103-49-27(19-72)97-57(43(88)36(49)81)104-50-28(20-73)96-56(42(87)35(50)80)102-48-26(18-71)94-54(40(85)33(48)78)100-46-24(16-69)92-52(98-44)38(83)31(46)76/h21-28,30-57,68-73,75-88H,7-20H2,1-6H3,(H,65,89)(H,66,90)(H,67,74)(H2,63,64,107)/t22-,23+,24+,25+,26+,27+,28+,30-,31+,32+,33+,34+,35+,36+,37-,38+,39+,40+,41+,42+,43+,44-,45+,46+,47+,48+,49+,50+,51-,52+,53+,54+,55+,56+,57+/m0/s1 |
| InChIKey | SPMYAYIPUBSQPI-UEACOPSQSA-N |
| Mol Weight | 1578.6 g/mol |
| Molecular Formula | C62H107N5O39S |
| Exact Mass | 1577.62639 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GqA6DRGr1w5 |
|---|---|
| Name | 6(I)-DEOXY-6(I)-[3-[6-[N-[BIS-(N'-TERT.-BUTOXYCARBONYLAMINOMETHYL)-METHYL]-CARBAMOYLPENTYL]-THIOUREIDO]-CYCLOMALTOHEPTAOSE] |
| Compound Number | 19 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H107N5O39S |
| InChI | InChI=1S/C62H107N5O39S/c1-61(2,3)105-59(89)65-12-21(13-66-60(90)106-62(4,5)6)67-29(74)10-8-7-9-11-63-58(107)64-14-22-44-30(75)37(82)51(91-22)99-45-23(15-68)93-53(39(84)32(45)77)101-47-25(17-70)95-55(41(86)34(47)79)103-49-27(19-72)97-57(43(88)36(49)81)104-50-28(20-73)96-56(42(87)35(50)80)102-48-26(18-71)94-54(40(85)33(48)78)100-46-24(16-69)92-52(98-44)38(83)31(46)76/h21-28,30-57,68-73,75-88H,7-20H2,1-6H3,(H,65,89)(H,66,90)(H,67,74)(H2,63,64,107)/t22-,23+,24+,25+,26+,27+,28+,30-,31+,32+,33+,34+,35+,36+,37-,38+,39+,40+,41+,42+,43+,44-,45+,46+,47+,48+,49+,50+,51-,52+,53+,54+,55+,56+,57+/m0/s1 |
| InChIKey | SPMYAYIPUBSQPI-UEACOPSQSA-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 | 1578.602 g/mol |
| Sample ID | 27885 |
| Solvent | D2O |