| SpectraBase Compound ID | DtK9NBkeAVa |
|---|---|
| InChI | InChI=1S/C36H56O9S2.2Na/c1-23-12-17-32(4)27-13-19-34(6)28(15-20-36(37)30(34)9-8-16-31(36,2)3)33(27,5)18-14-29(32)35(23,7)22-24-21-25(44-46(38,39)40)10-11-26(24)45-47(41,42)43;;/h10-11,21,23,27-30,37H,8-9,12-20,22H2,1-7H3,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2/t23-,27+,28-,29+,30+,32+,33+,34-,35+,36-;;/m0../s1 |
| InChIKey | FNADDCQPHWNJAR-LIHUGVATSA-L |
| Mol Weight | 740.91853856 g/mol |
| Molecular Formula | C36H54Na2O9S2 |
| Exact Mass | 740.300464 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CsW1lbcGhEY |
|---|---|
| Name | ADOCIASULFATE-8 |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H54Na2O9S2 |
| InChI | InChI=1S/C36H56O9S2.2Na/c1-23-12-17-32(4)27-13-19-34(6)28(15-20-36(37)30(34)9-8-16-31(36,2)3)33(27,5)18-14-29(32)35(23,7)22-24-21-25(44-46(38,39)40)10-11-26(24)45-47(41,42)43;;/h10-11,21,23,27-30,37H,8-9,12-20,22H2,1-7H3,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2/t23-,27+,28-,29+,30+,32+,33+,34-,35+,36-;;/m0../s1 |
| InChIKey | FNADDCQPHWNJAR-LIHUGVATSA-L |
| Literature Reference Author | J.A.KALAITZIS,P.D.A.LEONE,L.HARRIS,M.S.BUTLER,A.NGO,J.N.A.HO OPER,R.J.QUINN |
| Literature Reference Citation | J.ORG.CHEM.,64,5571(1999) |
| Literature Reference DOI | 10.1021/jo990404d |
| Molecular Weight | 740.919 g/mol |
| Sample ID | 41329 |
| Solvent | DMSO-D6 |