| SpectraBase Compound ID | 4ALfHB8vTOj |
|---|---|
| InChI | InChI=1S/C51H79NO13.C6H15N/c1-31(26-35(5)45(55)47(64-10)46(56)36(6)28-34(4)41(53)23-19-32(2)27-38-21-24-42(54)44(29-38)63-9)16-12-11-13-17-33(3)43(62-8)30-39-22-20-37(7)51(61,65-39)48(57)49(58)52-25-15-14-18-40(52)50(59)60;1-4-7(5-2)6-3/h11-13,16-17,19,23,28,31-32,34-35,37-40,42-44,46-47,54,56,61H,14-15,18,20-22,24-27,29-30H2,1-10H3,(H,59,60);4-6H2,1-3H3/b13-11+,16-12+,23-19+,33-17+,36-28+;/t31-,32-,34-,35+,37+,38+,39-,40-,42-,43+,44-,46-,47+,51+;/m0./s1 |
| InChIKey | VTWGUPVJJFRAAM-HEGMBQLRSA-N |
| Mol Weight | 1015.4 g/mol |
| Molecular Formula | C57H94N2O13 |
| Exact Mass | 1014.675591 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1MHEg01Y0dc |
|---|---|
| Name | VTWGUPVJJFRAAM-HEGMBQLRSA-N |
| Compound Number | 3*TEA |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H94N2O13 |
| InChI | InChI=1S/C51H79NO13.C6H15N/c1-31(26-35(5)45(55)47(64-10)46(56)36(6)28-34(4)41(53)23-19-32(2)27-38-21-24-42(54)44(29-38)63-9)16-12-11-13-17-33(3)43(62-8)30-39-22-20-37(7)51(61,65-39)48(57)49(58)52-25-15-14-18-40(52)50(59)60;1-4-7(5-2)6-3/h11-13,16-17,19,23,28,31-32,34-35,37-40,42-44,46-47,54,56,61H,14-15,18,20-22,24-27,29-30H2,1-10H3,(H,59,60);4-6H2,1-3H3/b13-11+,16-12+,23-19+,33-17+,36-28+;/t31-,32-,34-,35+,37+,38+,39-,40-,42-,43+,44-,46-,47+,51+;/m0./s1 |
| InChIKey | VTWGUPVJJFRAAM-HEGMBQLRSA-N |
| Literature Reference Author | C.C.ZHOU,K.D.STEWART,M.K.DHAON |
| Literature Reference Citation | MAGN.RES.CHEM.,43,41(2005) |
| Literature Reference DOI | 10.1002/mrc.1501 |
| Molecular Weight | 1015.379 g/mol |
| Sample ID | 27495 |
| Solvent | DMSO-D6 |