| SpectraBase Compound ID | A8jl2Gcnr0E |
|---|---|
| InChI | InChI=1S/C38H64O49S7.9Na/c1-64-15-12(9-72-88(43,44)45)76-35(27(68-5)18(15)65-2)80-21-19(66-3)28(69-6)37(82-25(21)32(39)40)79-17-14(11-74-90(49,50)51)77-38(31(87-94(61,62)63)24(17)85-92(55,56)57)81-22-20(67-4)29(70-7)36(83-26(22)33(41)42)78-16-13(10-73-89(46,47)48)75-34(71-8)30(86-93(58,59)60)23(16)84-91(52,53)54;;;;;;;;;/h12-31,34-38H,9-11H2,1-8H3,(H,39,40)(H,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63);;;;;;;;;/q;9*+1/p-9/t12-,13+,14-,15-,16+,17-,18+,19-,20-,21-,22-,23-,24+,25-,26+,27-,28+,29+,30+,31-,34-,35-,36+,37+,38-;;;;;;;;;/m1........./s1 |
| InChIKey | MVPQUSQUURLQKF-KDRBXWAKSA-E |
| Mol Weight | 1727.13692354 g/mol |
| Molecular Formula | C38H55Na9O49S7 |
| Exact Mass | 1725.893615 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5opODf2P7Ep |
|---|---|
| Name | SAN-ORG-34006 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H55Na9O49S7 |
| InChI | InChI=1S/C38H64O49S7.9Na/c1-64-15-12(9-72-88(43,44)45)76-35(27(68-5)18(15)65-2)80-21-19(66-3)28(69-6)37(82-25(21)32(39)40)79-17-14(11-74-90(49,50)51)77-38(31(87-94(61,62)63)24(17)85-92(55,56)57)81-22-20(67-4)29(70-7)36(83-26(22)33(41)42)78-16-13(10-73-89(46,47)48)75-34(71-8)30(86-93(58,59)60)23(16)84-91(52,53)54;;;;;;;;;/h12-31,34-38H,9-11H2,1-8H3,(H,39,40)(H,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63);;;;;;;;;/q;9*+1/p-9/t12-,13+,14-,15-,16+,17-,18+,19-,20-,21-,22-,23-,24+,25-,26+,27-,28+,29+,30+,31-,34-,35-,36+,37+,38-;;;;;;;;;/m1........./s1 |
| InChIKey | MVPQUSQUURLQKF-KDRBXWAKSA-E |
| Literature Reference Author | J.BOOTSMA,G.WAGENAARS,E.DREEF,F.HOUT,E.KELLENBACH |
| Literature Reference Citation | MAGN.RES.CHEM.,39,288(2001) |
| Literature Reference DOI | 10.1002/mrc.836 |
| Molecular Weight | 1727.153 g/mol |
| Solvent | D2O |
| Source File Reference | UWSI24909 |