| SpectraBase Compound ID | JE5Jr1e7W5L |
|---|---|
| InChI | InChI=1S/C45H77N2O36P/c1-10-35(79-43-29(62)23(56)16(7-50)75-43)26(59)31(64)42(71-10)82-38-20(47-13(4)53)40(78-34-11(2)72-45(33(66)27(34)60)83-84(67,68)69)77-18(9-70-41-30(63)25(58)22(55)15(6-49)74-41)37(38)81-44-32(65)28(61)36(17(8-51)76-44)80-39-19(46-12(3)52)24(57)21(54)14(5-48)73-39/h10-11,14-45,48-51,54-66H,5-9H2,1-4H3,(H,46,52)(H,47,53)(H2,67,68,69)/t10-,11+,14-,15+,16-,17+,18-,19+,20+,21-,22+,23-,24-,25-,26-,27+,28+,29-,30+,31+,32+,33-,34+,35-,36+,37-,38-,39+,40+,41+,42+,43+,44-,45-/m0/s1 |
| InChIKey | HZJLRTLXVZEGRZ-GQHOKWAESA-N |
| Mol Weight | 1253.1 g/mol |
| Molecular Formula | C45H77N2O36P |
| Exact Mass | 1252.399364 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BIjE6GGzFXL |
|---|---|
| Name | HZJLRTLXVZEGRZ-GQHOKWAESA-N |
| Compound Number | 19B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H75N2O36P |
| InChI | InChI=1S/C45H77N2O36P/c1-10-35(79-43-29(62)23(56)16(7-50)75-43)26(59)31(64)42(71-10)82-38-20(47-13(4)53)40(78-34-11(2)72-45(33(66)27(34)60)83-84(67,68)69)77-18(9-70-41-30(63)25(58)22(55)15(6-49)74-41)37(38)81-44-32(65)28(61)36(17(8-51)76-44)80-39-19(46-12(3)52)24(57)21(54)14(5-48)73-39/h10-11,14-45,48-51,54-66H,5-9H2,1-4H3,(H,46,52)(H,47,53)(H2,67,68,69)/t10-,11+,14-,15+,16-,17+,18-,19+,20+,21-,22+,23-,24-,25-,26-,27+,28+,29-,30+,31+,32+,33-,34+,35-,36+,37-,38-,39+,40+,41+,42+,43+,44-,45-/m0/s1 |
| InChIKey | HZJLRTLXVZEGRZ-GQHOKWAESA-N |
| Literature Reference Author | L.M.BEYNON,J.C.RICHARDS,M.B.PERRY,P.J.KNISKERN |
| Literature Reference Citation | CAN.J.CHEM.,70,218(1992) |
| Literature Reference DOI | 10.1139/v92-033 |
| Molecular Weight | 1251.056 g/mol |
| Solvent | D2O |
| Source File Reference | UWVP62 |