| SpectraBase Compound ID | 9fLgbG5utop |
|---|---|
| InChI | InChI=1S/C28H42O6S.Na/c1-6-18(17(2)3)11-14-28(5,30)26-25(29)16-24-23-9-7-19-15-20(34-35(31,32)33)8-10-21(19)22(23)12-13-27(24,26)4;/h6,8,10,15,17,22-26,29-30H,7,9,11-14,16H2,1-5H3,(H,31,32,33);/q;+1/p-1/b18-6+;/t22-,23-,24+,25+,26+,27+,28-;/m1./s1 |
| InChIKey | GTNJPNDGDVGGKT-MRGPOWNKSA-M |
| Mol Weight | 528.7 g/mol |
| Molecular Formula | C28H41NaO6S |
| Exact Mass | 528.252154 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EpHnp4fLOjg |
|---|---|
| Name | GEODISTEROL-3-O-SULFITE;SODIUM-(16-S,20-S,24-E)-16,20-DIHYDROXY-19-NORSTIGMASTA-1,3,5-(10),24-(28)-TETRAEN-3-YL_SULFATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H41NaO6S |
| InChI | InChI=1S/C28H42O6S.Na/c1-6-18(17(2)3)11-14-28(5,30)26-25(29)16-24-23-9-7-19-15-20(34-35(31,32)33)8-10-21(19)22(23)12-13-27(24,26)4;/h6,8,10,15,17,22-26,29-30H,7,9,11-14,16H2,1-5H3,(H,31,32,33);/q;+1/p-1/b18-6+;/t22-,23-,24+,25+,26+,27+,28-;/m1./s1 |
| InChIKey | GTNJPNDGDVGGKT-MRGPOWNKSA-M |
| Literature Reference Author | J.A.DIGIROLAMO,X.C.LI,M.R.JACOB,A.M.CLARK,D.FERREIRA |
| Literature Reference Citation | J.NAT.PROD.,72,1524(2009) |
| Literature Reference DOI | 10.1021/np900177m |
| Molecular Weight | 528.680 g/mol |
| Sample ID | 33418 |
| Solvent | CD3OD |