| SpectraBase Compound ID | 6AmDC7sle6T |
|---|---|
| InChI | InChI=1S/C29H52O12S3.3Na/c1-17(8-9-18(2)27(3,4)5)20-10-11-21-19-14-24(39-42(30,31)32)23-15-25(40-43(33,34)35)26(41-44(36,37)38)16-29(23,7)22(19)12-13-28(20,21)6;;;/h17-26H,8-16H2,1-7H3,(H,30,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3/t17-,18?,19+,20-,21+,22+,23-,24+,25+,26+,28-,29-;;;/m1.../s1 |
| InChIKey | SPEMVTYJKSAHEG-DGLFYPOVSA-K |
| Mol Weight | 754.84830785 g/mol |
| Molecular Formula | C29H49Na3O12S3 |
| Exact Mass | 754.207923 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EuhCAXHHdWL |
|---|---|
| Name | HALISTANOL-TRISULFATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H49Na3O12S3 |
| InChI | InChI=1S/C29H52O12S3.3Na/c1-17(8-9-18(2)27(3,4)5)20-10-11-21-19-14-24(39-42(30,31)32)23-15-25(40-43(33,34)35)26(41-44(36,37)38)16-29(23,7)22(19)12-13-28(20,21)6;;;/h17-26H,8-16H2,1-7H3,(H,30,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3/t17-,18?,19+,20-,21+,22+,23-,24+,25+,26+,28-,29-;;;/m1.../s1 |
| InChIKey | SPEMVTYJKSAHEG-DGLFYPOVSA-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 | 754.850 g/mol |
| Source File Reference | UWBT6489 |