| SpectraBase Compound ID | GFXzCdcDzXK |
|---|---|
| InChI | InChI=1S/C82H129N7O53S3/c1-25(96)119-23-41-65(121-27(3)98)67(123-29(5)100)69(125-31(7)102)71(127-41)88-81(144)84-14-33(15-85-82(145)89-72-70(126-32(8)103)68(124-30(6)101)66(122-28(4)99)42(128-72)24-120-26(2)97)87-43(104)12-10-9-11-13-83-80(143)86-16-34-58-44(105)51(112)73(129-34)137-59-35(17-90)131-75(53(114)46(59)107)139-61-37(19-92)133-77(55(116)48(61)109)141-63-39(21-94)135-79(57(118)50(63)111)142-64-40(22-95)134-78(56(117)49(64)110)140-62-38(20-93)132-76(54(115)47(62)108)138-60-36(18-91)130-74(136-58)52(113)45(60)106/h33-42,44-79,90-95,105-118H,9-24H2,1-8H3,(H,87,104)(H2,83,86,143)(H2,84,88,144)(H2,85,89,145)/t33?,34-,35-,36-,37-,38-,39+,40-,41-,42-,44-,45-,46+,47-,48-,49-,50+,51-,52-,53+,54-,55-,56-,57+,58-,59-,60-,61-,62-,63+,64-,65-,66-,67+,68+,69-,70+,71+,72+,73-,74-,75-,76-,77-,78-,79+/m0/s1 |
| InChIKey | MOBJDINJFZPJEV-IDUOGENCSA-N |
| Mol Weight | 2157.1 g/mol |
| Molecular Formula | C82H129N7O53S3 |
| Exact Mass | 2155.677636 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JxSgFDxom9V |
|---|---|
| Name | MOBJDINJFZPJEV-IDUOGENCSA-N |
| Compound Number | 22 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C82H129N7O53S3 |
| InChI | InChI=1S/C82H129N7O53S3/c1-25(96)119-23-41-65(121-27(3)98)67(123-29(5)100)69(125-31(7)102)71(127-41)88-81(144)84-14-33(15-85-82(145)89-72-70(126-32(8)103)68(124-30(6)101)66(122-28(4)99)42(128-72)24-120-26(2)97)87-43(104)12-10-9-11-13-83-80(143)86-16-34-58-44(105)51(112)73(129-34)137-59-35(17-90)131-75(53(114)46(59)107)139-61-37(19-92)133-77(55(116)48(61)109)141-63-39(21-94)135-79(57(118)50(63)111)142-64-40(22-95)134-78(56(117)49(64)110)140-62-38(20-93)132-76(54(115)47(62)108)138-60-36(18-91)130-74(136-58)52(113)45(60)106/h33-42,44-79,90-95,105-118H,9-24H2,1-8H3,(H,87,104)(H2,83,86,143)(H2,84,88,144)(H2,85,89,145)/t33?,34-,35-,36-,37-,38-,39+,40-,41-,42-,44-,45-,46+,47-,48-,49-,50+,51-,52-,53+,54-,55-,56-,57+,58-,59-,60-,61-,62-,63+,64-,65-,66-,67+,68+,69-,70+,71+,72+,73-,74-,75-,76-,77-,78-,79+/m0/s1 |
| InChIKey | MOBJDINJFZPJEV-IDUOGENCSA-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 | 2157.121 g/mol |
| Sample ID | 27905 |
| Solvent | D2O |