| SpectraBase Compound ID | C2kp0ATJWch |
|---|---|
| InChI | InChI=1S/C57H94O29/c1-22(20-76-49-43(71)39(67)36(64)30(16-58)79-49)8-13-57(75-5)23(2)34-29(86-57)15-56(74)27-7-6-24-14-25(9-11-54(24,3)26(27)10-12-55(34,56)4)78-51-45(73)41(69)46(33(19-61)82-51)83-53-48(85-52-44(72)40(68)37(65)31(17-59)80-52)47(38(66)32(18-60)81-53)84-50-42(70)35(63)28(62)21-77-50/h6,22-23,25-53,58-74H,7-21H2,1-5H3/t22?,23-,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+,52+,53+,54-,55+,56+,57?/m0/s1 |
| InChIKey | UTHWROIOIKNYTC-RNKPQUIMSA-N |
| Mol Weight | 1243.3 g/mol |
| Molecular Formula | C57H94O29 |
| Exact Mass | 1242.588077 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6NuENFW5jP4 |
|---|---|
| Name | UTHWROIOIKNYTC-RNKPQUIMSA-N |
| Compound Number | 116 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H94O29 |
| InChI | InChI=1S/C57H94O29/c1-22(20-76-49-43(71)39(67)36(64)30(16-58)79-49)8-13-57(75-5)23(2)34-29(86-57)15-56(74)27-7-6-24-14-25(9-11-54(24,3)26(27)10-12-55(34,56)4)78-51-45(73)41(69)46(33(19-61)82-51)83-53-48(85-52-44(72)40(68)37(65)31(17-59)80-52)47(38(66)32(18-60)81-53)84-50-42(70)35(63)28(62)21-77-50/h6,22-23,25-53,58-74H,7-21H2,1-5H3/t22?,23-,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+,52+,53+,54-,55+,56+,57?/m0/s1 |
| InChIKey | UTHWROIOIKNYTC-RNKPQUIMSA-N |
| Literature Reference Author | P.K.AGRAWAL,D.C.JAIN,A.K.PATHAK |
| Literature Reference Citation | MAGN.RES.CHEM.,33,923(1995) |
| Literature Reference DOI | 10.1002/mrc.1260331202 |
| Molecular Weight | 1243.356 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWCS22204 |