![#4;4-[2-[BIS-(2-[[5-(4-[2-[BIS-(2-[[2-(1-THIO-BETA-D-GALACTOPYRANOSYL)-ETHANOYL]-AMINO]-ETHYL)-AMINO]-ETHYLCARBAMOYL]-BUTYLDISULFANYL)-PENTANOYL]-AMINO]-ETHYL)](/api/spectrum/DboIa3H5wGn/structure.png?h=300&w=458 "#4;4-[2-[BIS-(2-[[5-(4-[2-[BIS-(2-[[2-(1-THIO-BETA-D-GALACTOPYRANOSYL)-ETHANOYL]-AMINO]-ETHYL)-AMINO]-ETHYLCARBAMOYL]-BUTYLDISULFANYL)-PENTANOYL]-AMINO]-ETHYL)")
| SpectraBase Compound ID | IFASgbMfdRZ |
|---|---|
| InChI | InChI=1S/C74H136N12O31S10/c1-127(112,113)126-37-7-4-12-52(93)77-17-26-84(24-15-75-50(91)10-2-5-33-122-124-35-8-13-53(94)78-18-27-85(29-20-80-55(96)42-118-71-67(108)63(104)59(100)46(38-87)114-71)30-21-81-56(97)43-119-72-68(109)64(105)60(101)47(39-88)115-72)25-16-76-51(92)11-3-6-34-123-125-36-9-14-54(95)79-19-28-86(31-22-82-57(98)44-120-73-69(110)65(106)61(102)48(40-89)116-73)32-23-83-58(99)45-121-74-70(111)66(107)62(103)49(41-90)117-74/h46-49,59-74,87-90,100-111H,2-45H2,1H3,(H,75,91)(H,76,92)(H,77,93)(H,78,94)(H,79,95)(H,80,96)(H,81,97)(H,82,98)(H,83,99)/t46-,47+,48-,49+,59+,60-,61+,62-,63+,64-,65+,66-,67-,68+,69-,70+,71+,72-,73+,74- |
| InChIKey | BULYMGDAZZEZLW-QMRDIVCISA-N |
| Mol Weight | 2010.6 g/mol |
| Molecular Formula | C74H136N12O31S10 |
| Exact Mass | 2008.664157 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DboIa3H5wGn |
|---|---|
| Name | #4;4-[2-[BIS-(2-[[5-(4-[2-[BIS-(2-[[2-(1-THIO-BETA-D-GALACTOPYRANOSYL)-ETHANOYL]-AMINO]-ETHYL)-AMINO]-ETHYLCARBAMOYL]-BUTYLDISULFANYL)-PENTANOYL]-AMINO]-ETHYL) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C74H136N12O31S10 |
| InChI | InChI=1S/C74H136N12O31S10/c1-127(112,113)126-37-7-4-12-52(93)77-17-26-84(24-15-75-50(91)10-2-5-33-122-124-35-8-13-53(94)78-18-27-85(29-20-80-55(96)42-118-71-67(108)63(104)59(100)46(38-87)114-71)30-21-81-56(97)43-119-72-68(109)64(105)60(101)47(39-88)115-72)25-16-76-51(92)11-3-6-34-123-125-36-9-14-54(95)79-19-28-86(31-22-82-57(98)44-120-73-69(110)65(106)61(102)48(40-89)116-73)32-23-83-58(99)45-121-74-70(111)66(107)62(103)49(41-90)117-74/h46-49,59-74,87-90,100-111H,2-45H2,1H3,(H,75,91)(H,76,92)(H,77,93)(H,78,94)(H,79,95)(H,80,96)(H,81,97)(H,82,98)(H,83,99)/t46-,47+,48-,49+,59+,60-,61+,62-,63+,64-,65+,66-,67-,68+,69-,70+,71+,72-,73+,74- |
| InChIKey | BULYMGDAZZEZLW-QMRDIVCISA-N |
| Literature Reference Author | P.M.RENDLE,A.SEGER,J.RODRIGUES,N.J.OLDHAM,R.R.BOTT,J.B.JONES ,M.M.COWAN,B.G.DAVIS |
| Literature Reference Citation | J.AM.CHEM.SOC.,126,4750(2004) |
| Literature Reference DOI | 10.1021/ja031698u |
| Molecular Weight | 2010.556 g/mol |
| Sample ID | 31305 |
| Solvent | D2O |