| SpectraBase Compound ID | 3eJb1LP3C4y |
|---|---|
| InChI | InChI=1S/C30H52O12S3.3Na/c1-17(2)20(18(3)4)9-8-19(5)22-10-11-23-21-14-26(40-43(31,32)33)25-15-27(41-44(34,35)36)28(42-45(37,38)39)16-30(25,7)24(21)12-13-29(22,23)6;;;/h8-9,17-28H,10-16H2,1-7H3,(H,31,32,33)(H,34,35,36)(H,37,38,39);;;/q;3*+1/p-3/b9-8+;;;/t19-,21+,22-,23+,24+,25-,26+,27+,28+,29-,30-;;;/m1.../s1 |
| InChIKey | SSCIPPUCOPUHPG-CFHGCBQSSA-K |
| Mol Weight | 766.85930785 g/mol |
| Molecular Formula | C30H49Na3O12S3 |
| Exact Mass | 766.207923 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EfHnE34RL1O |
|---|---|
| Name | TOPSENTINOL_K_TRISULFATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H49Na3O12S3 |
| InChI | InChI=1S/C30H52O12S3.3Na/c1-17(2)20(18(3)4)9-8-19(5)22-10-11-23-21-14-26(40-43(31,32)33)25-15-27(41-44(34,35)36)28(42-45(37,38)39)16-30(25,7)24(21)12-13-29(22,23)6;;;/h8-9,17-28H,10-16H2,1-7H3,(H,31,32,33)(H,34,35,36)(H,37,38,39);;;/q;3*+1/p-3/b9-8+;;;/t19-,21+,22-,23+,24+,25-,26+,27+,28+,29-,30-;;;/m1.../s1 |
| InChIKey | SSCIPPUCOPUHPG-CFHGCBQSSA-K |
| Literature Reference Author | J.DAI,A.SORRIBAS,W.Y.YOSHIDA,M.KELLY,P.G.WILLIAMS |
| Literature Reference Citation | J.NAT.PROD.,73,1597(2010) |
| Literature Reference DOI | 10.1021/np100374b |
| Molecular Weight | 766.861 g/mol |
| Sample ID | 36196 |
| Solvent | CD3OD |