| SpectraBase Compound ID | EovtTXNeXz2 |
|---|---|
| InChI | InChI=1S/C25H38O6S.Na/c1-18-8-9-22-23(14-21(26)15-24(22,2)3)25(18,4)12-10-19(17-31-32(27,28)29)6-5-7-20-11-13-30-16-20;/h11,13-14,16,18-19,22H,5-10,12,15,17H2,1-4H3,(H,27,28,29);/q;+1/p-1/t18-,19?,22-,25-;/m0./s1 |
| InChIKey | IBYBGXHLJHXXGT-DOEFPKRDSA-M |
| Mol Weight | 488.6 g/mol |
| Molecular Formula | C25H37NaO6S |
| Exact Mass | 488.220854 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Le3x59Jlgfg |
|---|---|
| Name | HALISULFATE-8 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H37NaO6S |
| InChI | InChI=1S/C25H38O6S.Na/c1-18-8-9-22-23(14-21(26)15-24(22,2)3)25(18,4)12-10-19(17-31-32(27,28)29)6-5-7-20-11-13-30-16-20;/h11,13-14,16,18-19,22H,5-10,12,15,17H2,1-4H3,(H,27,28,29);/q;+1/p-1/t18-,19?,22-,25-;/m0./s1 |
| InChIKey | IBYBGXHLJHXXGT-DOEFPKRDSA-M |
| Literature Reference Author | T.N.MAKARIEVA,J.R.RHO,H.S.LEE,E.A.SANTALOVA,V.STONIK,J.SHIN |
| Literature Reference Citation | J.NAT.PROD.,66,1010(2003) |
| Literature Reference DOI | 10.1021/np030141p |
| Molecular Weight | 488.615 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSP127 |