| SpectraBase Compound ID | 2EWJ3aroxYL |
|---|---|
| InChI | InChI=1S/C55H94O23/c1-11-14-20-23-34-24-21-18-16-15-17-19-22-25-36(57)73-47-44(76-52-42(63)41(62)43(32(9)69-52)74-49(64)27(4)12-2)33(10)70-55(48(47)75-50(65)28(5)13-3)78-46-40(61)38(59)35(26-67-51(66)29(6)30(7)56)72-54(46)77-45-39(60)37(58)31(8)68-53(45)71-34/h27-35,37-48,52-56,58-63H,11-26H2,1-10H3/t27?,28?,29?,30?,31-,32-,33+,34?,35-,37-,38-,39+,40+,41-,42-,43-,44+,45-,46-,47-,48-,52+,53+,54+,55+/m1/s1 |
| InChIKey | DMGSPHMUQXHMLD-KFQCFXEFSA-N |
| Mol Weight | 1123.3 g/mol |
| Molecular Formula | C55H94O23 |
| Exact Mass | 1122.618589 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2SN1nSQeXu7 |
|---|---|
| Name | DMGSPHMUQXHMLD-KFQCFXEFSA-N |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H94O23 |
| InChI | InChI=1S/C55H94O23/c1-11-14-20-23-34-24-21-18-16-15-17-19-22-25-36(57)73-47-44(76-52-42(63)41(62)43(32(9)69-52)74-49(64)27(4)12-2)33(10)70-55(48(47)75-50(65)28(5)13-3)78-46-40(61)38(59)35(26-67-51(66)29(6)30(7)56)72-54(46)77-45-39(60)37(58)31(8)68-53(45)71-34/h27-35,37-48,52-56,58-63H,11-26H2,1-10H3/t27?,28?,29?,30?,31-,32-,33+,34?,35-,37-,38-,39+,40+,41-,42-,43-,44+,45-,46-,47-,48-,52+,53+,54+,55+/m1/s1 |
| InChIKey | DMGSPHMUQXHMLD-KFQCFXEFSA-N |
| Literature Reference Author | R.G.ENRIQUEZ,I.LEON,F.PEREZ,F.WALLS,K.A.CARPENTER,F.V.PUZZUO LI,W.F.REYNOLDS |
| Literature Reference Citation | CAN.J.CHEM.,70,1000(1992) |
| Literature Reference DOI | 10.1139/v92-132 |
| Molecular Weight | 1123.338 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWVP595 |