| SpectraBase Compound ID | FT55lRrWbfV |
|---|---|
| InChI | InChI=1S/C46H82O37P2.2C6H15N/c1-2-3-4-5-6-7-8-9-10-70-41-35(63)29(57)38(18(12-48)74-41)80-43-33(61)27(55)24(52)21(77-43)15-71-85(68,69)83-46-37(65)31(59)40(20(14-50)76-46)81-44-34(62)28(56)25(53)22(78-44)16-72-84(66,67)82-45-36(64)30(58)39(19(13-49)75-45)79-42-32(60)26(54)23(51)17(11-47)73-42;2*1-4-7(5-2)6-3/h2,17-65H,1,3-16H2,(H,66,67)(H,68,69);2*4-6H2,1-3H3/t17-,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-,46+;;/m1../s1 |
| InChIKey | ABIGIPNIZQPGPC-QXBNYLFRSA-N |
| Mol Weight | 1491.46 g/mol |
| Molecular Formula | C58H112N2O37P2 |
| Exact Mass | 1490.641917 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HTXfGIN20BE |
|---|---|
| Compound Number | 3 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C46H82O37P2.2C6H15N/c1-2-3-4-5-6-7-8-9-10-70-41-35(63)29(57)38(18(12-48)74-41)80-43-33(61)27(55)24(52)21(77-43)15-71-85(68,69)83-46-37(65)31(59)40(20(14-50)76-46)81-44-34(62)28(56)25(53)22(78-44)16-72-84(66,67)82-45-36(64)30(58)39(19(13-49)75-45)79-42-32(60)26(54)23(51)17(11-47)73-42;2*1-4-7(5-2)6-3/h2,17-65H,1,3-16H2,(H,66,67)(H,68,69);2*4-6H2,1-3H3/t17-,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-,46+;;/m1../s1 |
| InChIKey | ABIGIPNIZQPGPC-QXBNYLFRSA-N |
| Literature Reference | A.V.NIKOLAEV,T.J.RUTHERFORD,M.A.J.FERGUSON,J.S.BRIMACOMBE J.CHEM.SOC.PERKIN-1,1977(1995) |
| Solvent | Methanol-d4:Chloroform-d |