| SpectraBase Compound ID | oapmWgpIIk |
|---|---|
| InChI | InChI=1S/C39H66O17S/c1-18(20(3)15-52-35-33(31(46)25(43)16-53-35)55-36-32(51-6)30(45)24(42)17-54-36)7-8-19(2)21-13-23(41)34-37(21,4)12-10-27-38(5)11-9-22(40)29(44)28(38)26(14-39(27,34)47)56-57(48,49)50/h7-8,18-36,40-47H,9-17H2,1-6H3,(H,48,49,50)/b8-7+/t18-,19?,20-,21+,22-,23+,24+,25+,26-,27?,28?,29-,30-,31-,32+,33+,34?,35+,36-,37+,38+,39-/m0/s1 |
| InChIKey | SOSYNEHUFVEREI-STOAWIFFSA-N |
| Mol Weight | 839.0 g/mol |
| Molecular Formula | C39H66O17S |
| Exact Mass | 838.402072 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A5dYaMqfjRy |
|---|---|
| Name | HALITYLOSIDE-I |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H66O17S |
| InChI | InChI=1S/C39H66O17S/c1-18(20(3)15-52-35-33(31(46)25(43)16-53-35)55-36-32(51-6)30(45)24(42)17-54-36)7-8-19(2)21-13-23(41)34-37(21,4)12-10-27-38(5)11-9-22(40)29(44)28(38)26(14-39(27,34)47)56-57(48,49)50/h7-8,18-36,40-47H,9-17H2,1-6H3,(H,48,49,50)/b8-7+/t18-,19?,20-,21+,22-,23+,24+,25+,26-,27?,28?,29-,30-,31-,32+,33+,34?,35+,36-,37+,38+,39-/m0/s1 |
| InChIKey | SOSYNEHUFVEREI-STOAWIFFSA-N |
| Literature Reference Author | S.DEMARINO,M.IORIZZI,F.ZOLLO,L.MINALE,C.D.AMSLER,B.J.BAKER,J .B.MCCLINTOCK |
| Literature Reference Citation | J.NAT.PROD.,60,959(1997) |
| Literature Reference DOI | 10.1021/np9700578 |
| Molecular Weight | 839.003 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU381 |