| SpectraBase Compound ID | 9iWEV5RazsQ |
|---|---|
| InChI | InChI=1S/C27H48O12S3.3Na/c1-16(2)7-6-8-17(3)19-9-10-20-18-13-23(37-40(28,29)30)22-14-24(38-41(31,32)33)25(39-42(34,35)36)15-27(22,5)21(18)11-12-26(19,20)4;;;/h16-25H,6-15H2,1-5H3,(H,28,29,30)(H,31,32,33)(H,34,35,36);;;/q;3*+1/p-3/t17-,18+,19-,20+,21+,22-,23+,24+,25+,26-,27-;;;/m1.../s1 |
| InChIKey | QHUOUGOFDBCXCN-RLBVSOLCSA-K |
| Mol Weight | 726.79430785 g/mol |
| Molecular Formula | C27H45Na3O12S3 |
| Exact Mass | 726.176623 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ETTVPiQOZgF |
|---|---|
| Name | HALISTANOL-TRISULFATE-C |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H45Na3O12S3 |
| InChI | InChI=1S/C27H48O12S3.3Na/c1-16(2)7-6-8-17(3)19-9-10-20-18-13-23(37-40(28,29)30)22-14-24(38-41(31,32)33)25(39-42(34,35)36)15-27(22,5)21(18)11-12-26(19,20)4;;;/h16-25H,6-15H2,1-5H3,(H,28,29,30)(H,31,32,33)(H,34,35,36);;;/q;3*+1/p-3/t17-,18+,19-,20+,21+,22-,23+,24+,25+,26-,27-;;;/m1.../s1 |
| InChIKey | QHUOUGOFDBCXCN-RLBVSOLCSA-K |
| Literature Reference Author | T.D.R.GUIMARAES,C.G.QUIROZ,C.RIGATTO,S.Q.D.OLIVEIRA,M.T.R.D. ALMEIDA,E.M.BIANCO |
| Literature Reference Citation | MAR.DRUGS,11,4176(2013) |
| Literature Reference DOI | 10.3390/md11114176 |
| Molecular Weight | 726.796 g/mol |
| Source File Reference | UWBT6490 |