![STENOPALUSIDE;(4S*,5R*)-4-[(9Z)-2,13-DI-(O-BETA-D-GLUCOPYRANOSYL)-5,9,10-TRIMETHYL-8-OXO-9-TETRADECENE-5-YL]-3,3,5-TRIMETHYLCYCLOHEXANONE](/api/spectrum/Gq3pByBzVgT/structure.png?h=300&w=458 "STENOPALUSIDE;(4S*,5R*)-4-[(9Z)-2,13-DI-(O-BETA-D-GLUCOPYRANOSYL)-5,9,10-TRIMETHYL-8-OXO-9-TETRADECENE-5-YL]-3,3,5-TRIMETHYLCYCLOHEXANONE")
| SpectraBase Compound ID | 5RUv9OV5v9O |
|---|---|
| InChI | InChI=1S/C38H66O14/c1-19(9-10-21(3)49-35-32(47)30(45)28(43)26(17-39)51-35)23(5)25(42)12-14-38(8,34-20(2)15-24(41)16-37(34,6)7)13-11-22(4)50-36-33(48)31(46)29(44)27(18-40)52-36/h20-22,26-36,39-40,43-48H,9-18H2,1-8H3/b23-19-/t20-,21?,22?,26+,27-,28+,29-,30-,31+,32+,33-,34+,35+,36-,38?/m1/s1 |
| InChIKey | KBXNEBNGESWLJM-KIQGVJNESA-N |
| Mol Weight | 746.9 g/mol |
| Molecular Formula | C38H66O14 |
| Exact Mass | 746.445257 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gq3pByBzVgT |
|---|---|
| Name | STENOPALUSIDE;(4S*,5R*)-4-[(9Z)-2,13-DI-(O-BETA-D-GLUCOPYRANOSYL)-5,9,10-TRIMETHYL-8-OXO-9-TETRADECENE-5-YL]-3,3,5-TRIMETHYLCYCLOHEXANONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H66O14 |
| InChI | InChI=1S/C38H66O14/c1-19(9-10-21(3)49-35-32(47)30(45)28(43)26(17-39)51-35)23(5)25(42)12-14-38(8,34-20(2)15-24(41)16-37(34,6)7)13-11-22(4)50-36-33(48)31(46)29(44)27(18-40)52-36/h20-22,26-36,39-40,43-48H,9-18H2,1-8H3/b23-19-/t20-,21?,22?,26+,27-,28+,29-,30-,31+,32+,33-,34+,35+,36-,38?/m1/s1 |
| InChIKey | KBXNEBNGESWLJM-KIQGVJNESA-N |
| Literature Reference Author | H.LIU,J.ORJALA,T.RALI,O.STICHER |
| Literature Reference Citation | PHYTOCHEM.,49,2403(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00352-5 |
| Molecular Weight | 746.934 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU1033 |